5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyloxolan-2-one

C17H16O5S — CID 644098

IUPAC5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyloxolan-2-one
SMILESCS(=O)(=O)c1ccc(C2C(O)OC(=O)C2c2ccccc2)cc1
InChIInChI=1S/C17H16O5S/c1-23(20,21)13-9-7-12(8-10-13)15-14(16(18)22-17(15)19)11-5-3-2-4-6-11/h2-10,14-15,17,19H,1H3
InChIKeyKETRNDQFHQCNAX-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.83
Rot. Bonds3

About 5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyloxolan-2-one

5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyloxolan-2-one (PubChem CID 644098) has the molecular formula C17H16O5S and a molecular weight of 332.38 g/mol. Its IUPAC name is 5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyloxolan-2-one.

Molecular Properties

Compound Name5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyloxolan-2-one
PubChem CID644098
Molecular FormulaC17H16O5S
Molecular Weight332.38 g/mol
Exact Mass332.07
IUPAC Name5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyloxolan-2-one
SMILESCS(=O)(=O)c1ccc(C2C(O)OC(=O)C2c2ccccc2)cc1
InChIInChI=1S/C17H16O5S/c1-23(20,21)13-9-7-12(8-10-13)15-14(16(18)22-17(15)19)11-5-3-2-4-6-11/h2-10,14-15,17,19H,1H3
InChIKeyKETRNDQFHQCNAX-UHFFFAOYSA-N
XLogP1.83
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyloxolan-2-one?
The IUPAC name of 5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyloxolan-2-one (CID 644098) is 5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyloxolan-2-one.
What is the SMILES notation for 5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyloxolan-2-one?
The canonical SMILES for 5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyloxolan-2-one is CS(=O)(=O)c1ccc(C2C(O)OC(=O)C2c2ccccc2)cc1.
What is the InChIKey of 5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyloxolan-2-one?
The InChIKey is KETRNDQFHQCNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5S/c1-23(20,21)13-9-7-12(8-10-13)15-14(16(18)22-17(15)19)11-5-3-2-4-6-11/h2-10,14-15,17,19H,1H3.
What are the key properties of 5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyloxolan-2-one?
5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyloxolan-2-one has a molecular weight of 332.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyloxolan-2-one is sourced from PubChem (CID 644098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).