1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol

C16H17ClO4S — CID 47562541

IUPAC1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol
SMILESCOc1cccc(CS(=O)(=O)CC(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClO4S/c1-21-15-4-2-3-12(9-15)10-22(19,20)11-16(18)13-5-7-14(17)8-6-13/h2-9,16,18H,10-11H2,1H3
InChIKeyYUZDMDZGBFXPSQ-UHFFFAOYSA-N
MW340.83 g/mol
LogP3.00
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol

1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol (PubChem CID 47562541) has the molecular formula C16H17ClO4S and a molecular weight of 340.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol
PubChem CID47562541
Molecular FormulaC16H17ClO4S
Molecular Weight340.83 g/mol
Exact Mass340.05
IUPAC Name1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol
SMILESCOc1cccc(CS(=O)(=O)CC(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClO4S/c1-21-15-4-2-3-12(9-15)10-22(19,20)11-16(18)13-5-7-14(17)8-6-13/h2-9,16,18H,10-11H2,1H3
InChIKeyYUZDMDZGBFXPSQ-UHFFFAOYSA-N
XLogP3.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-3-[(3-methoxyphenyl)methylsulfonylmethyl]benzene
CID 20702839
2-[(2,6-dimethylphenyl)methylsulfonyl]-1-(3-methoxyphenyl)ethanol
CID 111437345
2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol
CID 47561636
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 3603166
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 12648153
4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline
CID 156894830
3-[(3-methoxyphenyl)methylsulfonyl]butan-1-amine
CID 81195040
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129
1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea
CID 46493902

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol (CID 47562541) is 1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol is COc1cccc(CS(=O)(=O)CC(O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol?
The InChIKey is YUZDMDZGBFXPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO4S/c1-21-15-4-2-3-12(9-15)10-22(19,20)11-16(18)13-5-7-14(17)8-6-13/h2-9,16,18H,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol?
1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol has a molecular weight of 340.83 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol is sourced from PubChem (CID 47562541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).