2-hydroxy-1-(4-methylsulfonylphenyl)ethanone

C9H10O4S — CID 2763578

IUPAC2-hydroxy-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)CO)cc1
InChIInChI=1S/C9H10O4S/c1-14(12,13)8-4-2-7(3-5-8)9(11)6-10/h2-5,10H,6H2,1H3
InChIKeyYYIVRXHJSZKUHR-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.27
Rot. Bonds3

About 2-hydroxy-1-(4-methylsulfonylphenyl)ethanone

2-hydroxy-1-(4-methylsulfonylphenyl)ethanone (PubChem CID 2763578) has the molecular formula C9H10O4S and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-hydroxy-1-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(4-methylsulfonylphenyl)ethanone
PubChem CID2763578
Molecular FormulaC9H10O4S
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Name2-hydroxy-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)CO)cc1
InChIInChI=1S/C9H10O4S/c1-14(12,13)8-4-2-7(3-5-8)9(11)6-10/h2-5,10H,6H2,1H3
InChIKeyYYIVRXHJSZKUHR-UHFFFAOYSA-N
XLogP0.27
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-hydroxy-1-(4-methylsulfonylphenyl)ethanone (CID 2763578) is 2-hydroxy-1-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-hydroxy-1-(4-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1ccc(C(=O)CO)cc1.
What is the InChIKey of 2-hydroxy-1-(4-methylsulfonylphenyl)ethanone?
The InChIKey is YYIVRXHJSZKUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4S/c1-14(12,13)8-4-2-7(3-5-8)9(11)6-10/h2-5,10H,6H2,1H3.
What are the key properties of 2-hydroxy-1-(4-methylsulfonylphenyl)ethanone?
2-hydroxy-1-(4-methylsulfonylphenyl)ethanone has a molecular weight of 214.24 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 2763578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).