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Tyrosols and derivatives

Organic compounds that consist of a phenol ring with an ethyl functional group substitution that is subsequently bonded to a hydroxyl group.

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1

N-Nitrosometoprolol, TRC

CAS: 138768-62-4 Molecular Formula: C15H24N2O4 Molecular Weight (g/mol): 296.36 Synonym: 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)nitrosoamino]-,1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)nitrosoamino]-2-propanol IUPAC Name: N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]-N-propan-2-ylnitrous amide SMILES: COCCc1ccc(OCC(O)CN(N=O)C(C)C)cc1

CAS 138768-62-4
Molecular Weight (g/mol) 296.36
SMILES COCCc1ccc(OCC(O)CN(N=O)C(C)C)cc1
Synonym 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)nitrosoamino]-,1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)nitrosoamino]-2-propanol
IUPAC Name N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]-N-propan-2-ylnitrous amide
Molecular Formula C15H24N2O4
2

N-Desisopropyl Metoprolol, TRC

CAS: 74027-60-4 Molecular Formula: C12 H19 N O3 Molecular Weight (g/mol): 225.28 Synonym: 2-Propanol, 1-amino-3-[4-(2-methoxyethyl)phenoxy]-,N-Desisopropylmetoprolol IUPAC Name: 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol SMILES: COCCc1ccc(OCC(O)CN)cc1

CAS 74027-60-4
Molecular Weight (g/mol) 225.28
SMILES COCCc1ccc(OCC(O)CN)cc1
Synonym 2-Propanol, 1-amino-3-[4-(2-methoxyethyl)phenoxy]-,N-Desisopropylmetoprolol
IUPAC Name 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
Molecular Formula C12 H19 N O3
3

2-(4-Benzyloxyphenyl)ethanol, 98+%

CAS: 61439-59-6 Molecular Formula: C15H16O2 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00017532 InChI Key: JCUJAHLWCDISCC-UHFFFAOYSA-N Synonym: 2-4-benzyloxyphenyl ethanol,2-4-benzyloxy phenyl ethanol,p-benzyloxy phenethyl alcohol,4-benzyloxyphenylethyl alcohol,4-benzyloxyphenethyl alcohol,4-benzyloxy phenethylalcohol,benzeneethanol, 4-phenylmethoxy,2-p-benzyloxyphenyl ethanol,4-benzyloxy phenethyl alcohol PubChem CID: 3017260 IUPAC Name: 2-(4-phenylmethoxyphenyl)ethanol SMILES: OCCC1=CC=C(OCC2=CC=CC=C2)C=C1

PubChem CID 3017260
CAS 61439-59-6
Molecular Weight (g/mol) 228.29
MDL Number MFCD00017532
SMILES OCCC1=CC=C(OCC2=CC=CC=C2)C=C1
Synonym 2-4-benzyloxyphenyl ethanol,2-4-benzyloxy phenyl ethanol,p-benzyloxy phenethyl alcohol,4-benzyloxyphenylethyl alcohol,4-benzyloxyphenethyl alcohol,4-benzyloxy phenethylalcohol,benzeneethanol, 4-phenylmethoxy,2-p-benzyloxyphenyl ethanol,4-benzyloxy phenethyl alcohol
IUPAC Name 2-(4-phenylmethoxyphenyl)ethanol
InChI Key JCUJAHLWCDISCC-UHFFFAOYSA-N
Molecular Formula C15H16O2
4

2-(4-Ethoxyphenyl)ethanol, 98%

CAS: 22545-15-9 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00016570 InChI Key: CNMVSNTVPZWQMI-UHFFFAOYSA-N Synonym: 2-4-ethoxyphenyl ethanol,p-ethoxyphenethyl alcohol,4-2-hydroxyethyl phenetol,4-ethoxybenzeneethanol,4-ethoxy-benzeneethanol,4-ethoxyphenethyl alcohol,benzeneethanol,4-ethoxy,acmc-1cit4,benzeneethanol, 4-ethoxy,2-4-ethoxyphenyl ethan-1-ol PubChem CID: 89752 IUPAC Name: 2-(4-ethoxyphenyl)ethanol SMILES: CCOC1=CC=C(CCO)C=C1

PubChem CID 89752
CAS 22545-15-9
Molecular Weight (g/mol) 166.22
MDL Number MFCD00016570
SMILES CCOC1=CC=C(CCO)C=C1
Synonym 2-4-ethoxyphenyl ethanol,p-ethoxyphenethyl alcohol,4-2-hydroxyethyl phenetol,4-ethoxybenzeneethanol,4-ethoxy-benzeneethanol,4-ethoxyphenethyl alcohol,benzeneethanol,4-ethoxy,acmc-1cit4,benzeneethanol, 4-ethoxy,2-4-ethoxyphenyl ethan-1-ol
IUPAC Name 2-(4-ethoxyphenyl)ethanol
InChI Key CNMVSNTVPZWQMI-UHFFFAOYSA-N
Molecular Formula C10H14O2
5

2-(4-Methoxyphenyl)ethanol, 98%

CAS: 702-23-8 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00002900 InChI Key: AUWDOZOUJWEPBA-UHFFFAOYSA-N Synonym: 2-4-methoxyphenyl ethanol,4-methoxyphenethyl alcohol,4-methoxybenzeneethanol,benzeneethanol, 4-methoxy,p-methoxyphenethyl alcohol,2-4-methoxyphenyl ethan-1-ol,unii-3mwl5nze9k,3mwl5nze9k,4-2-hydroxyethyl anisole,2-4-methoxyphenyl-ethanol PubChem CID: 69705 IUPAC Name: 2-(4-methoxyphenyl)ethanol SMILES: COC1=CC=C(C=C1)CCO

PubChem CID 69705
CAS 702-23-8
Molecular Weight (g/mol) 152.193
MDL Number MFCD00002900
SMILES COC1=CC=C(C=C1)CCO
Synonym 2-4-methoxyphenyl ethanol,4-methoxyphenethyl alcohol,4-methoxybenzeneethanol,benzeneethanol, 4-methoxy,p-methoxyphenethyl alcohol,2-4-methoxyphenyl ethan-1-ol,unii-3mwl5nze9k,3mwl5nze9k,4-2-hydroxyethyl anisole,2-4-methoxyphenyl-ethanol
IUPAC Name 2-(4-methoxyphenyl)ethanol
InChI Key AUWDOZOUJWEPBA-UHFFFAOYSA-N
Molecular Formula C9H12O2
6

2-(3,4-Dimethoxyphenyl)ethanol, 98%

CAS: 7417-21-2 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00002894 InChI Key: SRQAJMUHZROVHW-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenethyl alcohol,2-3,4-dimethoxyphenyl ethanol,3,4-dimethoxyphenethylalcohol,2-3,4-dimethoxyphenyl ethan-1-ol,3,4-dimethoxyphenethanol,homoveratryl alcohol,benzeneethanol, 3,4-dimethoxy,3,4-dimethoxybenzeneethanol,3,4-dimethoxy-.beta.-phenethyl alcohol,1-2-hydroxyethyl-3,4-dimethoxybenzene PubChem CID: 81911 SMILES: COC1=CC=C(CCO)C=C1OC

PubChem CID 81911
CAS 7417-21-2
Molecular Weight (g/mol) 182.22
MDL Number MFCD00002894
SMILES COC1=CC=C(CCO)C=C1OC
Synonym 3,4-dimethoxyphenethyl alcohol,2-3,4-dimethoxyphenyl ethanol,3,4-dimethoxyphenethylalcohol,2-3,4-dimethoxyphenyl ethan-1-ol,3,4-dimethoxyphenethanol,homoveratryl alcohol,benzeneethanol, 3,4-dimethoxy,3,4-dimethoxybenzeneethanol,3,4-dimethoxy-.beta.-phenethyl alcohol,1-2-hydroxyethyl-3,4-dimethoxybenzene
InChI Key SRQAJMUHZROVHW-UHFFFAOYSA-N
Molecular Formula C10H14O3
7

2-Methylisoindole-1,3-dione, TRC

CAS: 550-44-7 Molecular Formula: C9 H7 N O2 Molecular Weight (g/mol): 161.16 Synonym: 2-Methyl-1H-isoindole-1,3(2H)-dione,Phthalimide, N-methyl- (6CI,7CI,8CI),2-Methyl-1H-isoindole-1,3(2H)-dione,2-Methylisoindole-1,3-dione,2-Methylisoindoline-1,3-dione,N-Methylphthalimide,NSC 44059 IUPAC Name: 2-methylisoindole-1,3-dione SMILES: CN1C(=O)c2ccccc2C1=O

CAS 550-44-7
Molecular Weight (g/mol) 161.16
SMILES CN1C(=O)c2ccccc2C1=O
Synonym 2-Methyl-1H-isoindole-1,3(2H)-dione,Phthalimide, N-methyl- (6CI,7CI,8CI),2-Methyl-1H-isoindole-1,3(2H)-dione,2-Methylisoindole-1,3-dione,2-Methylisoindoline-1,3-dione,N-Methylphthalimide,NSC 44059
IUPAC Name 2-methylisoindole-1,3-dione
Molecular Formula C9 H7 N O2
8

4-(2-Methoxyethyl)phenol, 98%

CAS: 56718-71-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00017537 InChI Key: FAYGEALAEQKPDI-UHFFFAOYSA-N Synonym: 4-2-methoxyethyl phenol,p-2-methoxyethyl phenol,phenol, 4-2-methoxyethyl,4-methoxyethylphenol,unii-py1w0akw8i,metoprolol impurity b,metoprolol impurity i,py1w0akw8i,4-hydroxyphenylethyl methyl ether PubChem CID: 92516 IUPAC Name: 4-(2-methoxyethyl)phenol SMILES: COCCC1=CC=C(C=C1)O

PubChem CID 92516
CAS 56718-71-9
Molecular Weight (g/mol) 152.193
MDL Number MFCD00017537
SMILES COCCC1=CC=C(C=C1)O
Synonym 4-2-methoxyethyl phenol,p-2-methoxyethyl phenol,phenol, 4-2-methoxyethyl,4-methoxyethylphenol,unii-py1w0akw8i,metoprolol impurity b,metoprolol impurity i,py1w0akw8i,4-hydroxyphenylethyl methyl ether
IUPAC Name 4-(2-methoxyethyl)phenol
InChI Key FAYGEALAEQKPDI-UHFFFAOYSA-N
Molecular Formula C9H12O2
9

3,4-Dimethoxyphenethyl alcohol, 98%, Thermo Scientific Chemicals

CAS: 7417-21-2 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00002894 InChI Key: SRQAJMUHZROVHW-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenethyl alcohol,2-3,4-dimethoxyphenyl ethanol,3,4-dimethoxyphenethylalcohol,2-3,4-dimethoxyphenyl ethan-1-ol,3,4-dimethoxyphenethanol,homoveratryl alcohol,benzeneethanol, 3,4-dimethoxy,3,4-dimethoxybenzeneethanol,3,4-dimethoxy-.beta.-phenethyl alcohol,1-2-hydroxyethyl-3,4-dimethoxybenzene PubChem CID: 81911 IUPAC Name: 2-(3,4-dimethoxyphenyl)ethanol SMILES: COC1=CC=C(CCO)C=C1OC

PubChem CID 81911
CAS 7417-21-2
Molecular Weight (g/mol) 182.22
MDL Number MFCD00002894
SMILES COC1=CC=C(CCO)C=C1OC
Synonym 3,4-dimethoxyphenethyl alcohol,2-3,4-dimethoxyphenyl ethanol,3,4-dimethoxyphenethylalcohol,2-3,4-dimethoxyphenyl ethan-1-ol,3,4-dimethoxyphenethanol,homoveratryl alcohol,benzeneethanol, 3,4-dimethoxy,3,4-dimethoxybenzeneethanol,3,4-dimethoxy-.beta.-phenethyl alcohol,1-2-hydroxyethyl-3,4-dimethoxybenzene
IUPAC Name 2-(3,4-dimethoxyphenyl)ethanol
InChI Key SRQAJMUHZROVHW-UHFFFAOYSA-N
Molecular Formula C10H14O3
10

4-Methoxyphenethyl alcohol, 96%

CAS: 702-23-8 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002900 InChI Key: AUWDOZOUJWEPBA-UHFFFAOYSA-N Synonym: 2-4-methoxyphenyl ethanol,4-methoxyphenethyl alcohol,4-methoxybenzeneethanol,benzeneethanol, 4-methoxy,p-methoxyphenethyl alcohol,2-4-methoxyphenyl ethan-1-ol,unii-3mwl5nze9k,3mwl5nze9k,4-2-hydroxyethyl anisole,2-4-methoxyphenyl-ethanol PubChem CID: 69705 IUPAC Name: 2-(4-methoxyphenyl)ethanol SMILES: COC1=CC=C(C=C1)CCO

PubChem CID 69705
CAS 702-23-8
Molecular Weight (g/mol) 152.19
MDL Number MFCD00002900
SMILES COC1=CC=C(C=C1)CCO
Synonym 2-4-methoxyphenyl ethanol,4-methoxyphenethyl alcohol,4-methoxybenzeneethanol,benzeneethanol, 4-methoxy,p-methoxyphenethyl alcohol,2-4-methoxyphenyl ethan-1-ol,unii-3mwl5nze9k,3mwl5nze9k,4-2-hydroxyethyl anisole,2-4-methoxyphenyl-ethanol
IUPAC Name 2-(4-methoxyphenyl)ethanol
InChI Key AUWDOZOUJWEPBA-UHFFFAOYSA-N
Molecular Formula C9H12O2
11

C-Desmethyl Metoprolol, TRC

CAS: 109632-08-8 Molecular Formula: C14 H23 N O3 Molecular Weight (g/mol): 253.34 Synonym: (2RS)-1-(Ethylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol,Metoprolol Succinate Imp. A (EP),Metoprolol Tartrate Imp. A (EP) IUPAC Name: 1-(ethylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol SMILES: CCNCC(O)COc1ccc(CCOC)cc1

CAS 109632-08-8
Molecular Weight (g/mol) 253.34
SMILES CCNCC(O)COc1ccc(CCOC)cc1
Synonym (2RS)-1-(Ethylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol,Metoprolol Succinate Imp. A (EP),Metoprolol Tartrate Imp. A (EP)
IUPAC Name 1-(ethylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
Molecular Formula C14 H23 N O3
12

rac Metoprolol, TRC

CAS: 51384-51-1 Molecular Formula: C15 H25 N O3

CAS 51384-51-1
Molecular Formula C15 H25 N O3
13

Betaxolol, TRC

CAS: 63659-18-7 Molecular Formula: C18 H29 N O3 Molecular Weight (g/mol): 307.43 Synonym: (±)-Betaxolol,1-Isopropylamino-3-[4-(2-cyclopropylmethoxy-ethyl)phenoxy]-2-propanol,Betaxolol,Betoptic S,2-Propanol, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]- IUPAC Name: 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol SMILES: CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1

CAS 63659-18-7
Molecular Weight (g/mol) 307.43
SMILES CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
Synonym (±)-Betaxolol,1-Isopropylamino-3-[4-(2-cyclopropylmethoxy-ethyl)phenoxy]-2-propanol,Betaxolol,Betoptic S,2-Propanol, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-
IUPAC Name 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular Formula C18 H29 N O3
14

O-Desmethyl Metoprolol, TRC

CAS: 62572-94-5 Molecular Formula: C14 H23 N O3 Molecular Weight (g/mol): 253.34 Synonym: (2RS)-1-[4-(2-Hydroxyethyl)phenoxy]-3-[(1-methylethyl)amino]propan-2-ol,Betaxolol Hydrochloride Imp. B (EP),Metoprolol Succinate Imp. H (EP),Metoprolol Tartrate Imp. H (EP) IUPAC Name: 1-[4-(2-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol SMILES: CC(C)NCC(O)COc1ccc(CCO)cc1

CAS 62572-94-5
Molecular Weight (g/mol) 253.34
SMILES CC(C)NCC(O)COc1ccc(CCO)cc1
Synonym (2RS)-1-[4-(2-Hydroxyethyl)phenoxy]-3-[(1-methylethyl)amino]propan-2-ol,Betaxolol Hydrochloride Imp. B (EP),Metoprolol Succinate Imp. H (EP),Metoprolol Tartrate Imp. H (EP)
IUPAC Name 1-[4-(2-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular Formula C14 H23 N O3
15

(R)-Metoprolol, TRC

CAS: 51384-51-1 Molecular Formula: C15 H25 N O3 Molecular Weight (g/mol): 267.36 Synonym: (RS)-Metoprolol,(±)-Metoprolol,1-Isopropylamino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol,1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol,Beatrolol,CGP 2175,Meijoprolol,Metocard,Metohexal,Metoprolol,Seroken,Spesicor,Toprol,dl-Metoprolol,2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]- IUPAC Name: (2R)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol SMILES: COCCc1ccc(OC[C@H](O)CNC(C)C)cc1

CAS 51384-51-1
Molecular Weight (g/mol) 267.36
SMILES COCCc1ccc(OC[C@H](O)CNC(C)C)cc1
Synonym (RS)-Metoprolol,(±)-Metoprolol,1-Isopropylamino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol,1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol,Beatrolol,CGP 2175,Meijoprolol,Metocard,Metohexal,Metoprolol,Seroken,Spesicor,Toprol,dl-Metoprolol,2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-
IUPAC Name (2R)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular Formula C15 H25 N O3