[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol

C14H14O3S2 — CID 63836085

IUPAC[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol
SMILESCS(=O)(=O)c1ccc(Sc2ccc(CO)cc2)cc1
InChIInChI=1S/C14H14O3S2/c1-19(16,17)14-8-6-13(7-9-14)18-12-4-2-11(10-15)3-5-12/h2-9,15H,10H2,1H3
InChIKeyRPOWMQVUSIPPTK-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.73
Rot. Bonds4

About [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol

[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol (PubChem CID 63836085) has the molecular formula C14H14O3S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol
PubChem CID63836085
Molecular FormulaC14H14O3S2
Molecular Weight294.40 g/mol
Exact Mass294.04
IUPAC Name[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol
SMILESCS(=O)(=O)c1ccc(Sc2ccc(CO)cc2)cc1
InChIInChI=1S/C14H14O3S2/c1-19(16,17)14-8-6-13(7-9-14)18-12-4-2-11(10-15)3-5-12/h2-9,15H,10H2,1H3
InChIKeyRPOWMQVUSIPPTK-UHFFFAOYSA-N
XLogP2.73
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-methylsulfonylphenyl)sulfanylphenyl]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 [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol?
The IUPAC name of [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol (CID 63836085) is [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol.
What is the SMILES notation for [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol?
The canonical SMILES for [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol is CS(=O)(=O)c1ccc(Sc2ccc(CO)cc2)cc1.
What is the InChIKey of [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol?
The InChIKey is RPOWMQVUSIPPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S2/c1-19(16,17)14-8-6-13(7-9-14)18-12-4-2-11(10-15)3-5-12/h2-9,15H,10H2,1H3.
What are the key properties of [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol?
[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol has a molecular weight of 294.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol is sourced from PubChem (CID 63836085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).