2-(3-methylsulfonylphenyl)ethanol

C9H12O3S — CID 68870168

IUPAC2-(3-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1cccc(CCO)c1
InChIInChI=1S/C9H12O3S/c1-13(11,12)9-4-2-3-8(7-9)5-6-10/h2-4,7,10H,5-6H2,1H3
InChIKeyOXFURTMHBNQNDS-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.62
Rot. Bonds3

About 2-(3-methylsulfonylphenyl)ethanol

2-(3-methylsulfonylphenyl)ethanol (PubChem CID 68870168) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(3-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-methylsulfonylphenyl)ethanol
PubChem CID68870168
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name2-(3-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1cccc(CCO)c1
InChIInChI=1S/C9H12O3S/c1-13(11,12)9-4-2-3-8(7-9)5-6-10/h2-4,7,10H,5-6H2,1H3
InChIKeyOXFURTMHBNQNDS-UHFFFAOYSA-N
XLogP0.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylsulfonylphenyl)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

2-[3-(methylsulfonylmethyl)phenyl]ethanol
CID 117305725
1-(bromomethyl)-3-methylsulfonylbenzene
CID 22456694
N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 58293040
acetic acid;(3-methylsulfonylphenyl)methanamine
CID 86081139
2-(3-cyclopentylsulfonylphenyl)ethanol
CID 69436577
5-(3-methylsulfonylphenyl)pentan-2-amine
CID 83926465
benzyl 3-(3-methylsulfonylphenyl)propanoate
CID 174937202
3-(3-methylsulfonylphenyl)propyl thiocyanate
CID 112717687
2-methyl-1-(3-methylsulfonylphenyl)propan-2-amine
CID 82618444
2-(aminomethyl)-3-methyl-4-(3-methylsulfonylphenyl)butan-1-ol
CID 83926423
(2S)-2-(hydroxymethylamino)-3-(3-methylsulfonylphenyl)propanoic acid
CID 155323105
N'-[(3-methylsulfonylphenyl)methyl]oxamide
CID 168950555

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-(3-methylsulfonylphenyl)ethanol (CID 68870168) is 2-(3-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(3-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(3-methylsulfonylphenyl)ethanol is CS(=O)(=O)c1cccc(CCO)c1.
What is the InChIKey of 2-(3-methylsulfonylphenyl)ethanol?
The InChIKey is OXFURTMHBNQNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-13(11,12)9-4-2-3-8(7-9)5-6-10/h2-4,7,10H,5-6H2,1H3.
What are the key properties of 2-(3-methylsulfonylphenyl)ethanol?
2-(3-methylsulfonylphenyl)ethanol has a molecular weight of 200.26 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 68870168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).