2-(4-methylsulfonylphenyl)ethanol

C9H12O3S — CID 22988427

IUPAC2-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(CCO)cc1
InChIInChI=1S/C9H12O3S/c1-13(11,12)9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3
InChIKeyZHHRUHAQUDFOGD-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.62
Rot. Bonds3

About 2-(4-methylsulfonylphenyl)ethanol

2-(4-methylsulfonylphenyl)ethanol (PubChem CID 22988427) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)ethanol
PubChem CID22988427
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name2-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(CCO)cc1
InChIInChI=1S/C9H12O3S/c1-13(11,12)9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3
InChIKeyZHHRUHAQUDFOGD-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-(4-methylsulfonylphenyl)ethanol (CID 22988427) is 2-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(4-methylsulfonylphenyl)ethanol is CS(=O)(=O)c1ccc(CCO)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)ethanol?
The InChIKey is ZHHRUHAQUDFOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-13(11,12)9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)ethanol?
2-(4-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-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 22988427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).