(4-methylsulfonylphenyl)methanol

C8H10O3S — CID 3801026

IUPAC(4-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1ccc(CO)cc1
InChIInChI=1S/C8H10O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
InChIKeyLUECCFBGAJOLOX-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.58
Rot. Bonds2

About (4-methylsulfonylphenyl)methanol

(4-methylsulfonylphenyl)methanol (PubChem CID 3801026) has the molecular formula C8H10O3S and a molecular weight of 186.23 g/mol. Its IUPAC name is (4-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Name(4-methylsulfonylphenyl)methanol
PubChem CID3801026
Molecular FormulaC8H10O3S
Molecular Weight186.23 g/mol
Exact Mass186.04
IUPAC Name(4-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1ccc(CO)cc1
InChIInChI=1S/C8H10O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
InChIKeyLUECCFBGAJOLOX-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

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylphenyl)methanol?
The IUPAC name of (4-methylsulfonylphenyl)methanol (CID 3801026) is (4-methylsulfonylphenyl)methanol.
What is the SMILES notation for (4-methylsulfonylphenyl)methanol?
The canonical SMILES for (4-methylsulfonylphenyl)methanol is CS(=O)(=O)c1ccc(CO)cc1.
What is the InChIKey of (4-methylsulfonylphenyl)methanol?
The InChIKey is LUECCFBGAJOLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3.
What are the key properties of (4-methylsulfonylphenyl)methanol?
(4-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 (4-methylsulfonylphenyl)methanol is sourced from PubChem (CID 3801026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).