(3-methylsulfonylphenyl)methanol

C8H10O3S — CID 23549738

IUPAC(3-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1cccc(CO)c1
InChIInChI=1S/C8H10O3S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3
InChIKeyXFMFNVYEANZUHC-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.58
Rot. Bonds2

About (3-methylsulfonylphenyl)methanol

(3-methylsulfonylphenyl)methanol (PubChem CID 23549738) has the molecular formula C8H10O3S and a molecular weight of 186.23 g/mol. Its IUPAC name is (3-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Name(3-methylsulfonylphenyl)methanol
PubChem CID23549738
Molecular FormulaC8H10O3S
Molecular Weight186.23 g/mol
Exact Mass186.04
IUPAC Name(3-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1cccc(CO)c1
InChIInChI=1S/C8H10O3S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3
InChIKeyXFMFNVYEANZUHC-UHFFFAOYSA-N
XLogP0.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-methylsulfonylphenyl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylphenyl)methanol?
The IUPAC name of (3-methylsulfonylphenyl)methanol (CID 23549738) is (3-methylsulfonylphenyl)methanol.
What is the SMILES notation for (3-methylsulfonylphenyl)methanol?
The canonical SMILES for (3-methylsulfonylphenyl)methanol is CS(=O)(=O)c1cccc(CO)c1.
What is the InChIKey of (3-methylsulfonylphenyl)methanol?
The InChIKey is XFMFNVYEANZUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3.
What are the key properties of (3-methylsulfonylphenyl)methanol?
(3-methylsulfonylphenyl)methanol has a molecular weight of 186.23 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylphenyl)methanol is sourced from PubChem (CID 23549738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).