4-Phenyl-4-(phenylsulfonyl)butan-2-one

HCID 2851290

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Basic information

CAS: 62692-46-0
Standard SMILES: CC(=O)CC(c1ccccc1)S(=O)(=O)c1ccccc1
InChIKey: GEJIACIFRQGWOJ-UHFFFAOYSA-N
Molecular formula: C16H16O3S
Average molar mass: 288.4 g/mol
Monoisotopic mass: 288.08201554

Names & identifiers

Preferred name: 4-Phenyl-4-(phenylsulfonyl)butan-2-one
IUPAC: 4-(benzenesulfonyl)-4-phenylbutan-2-one

Names & synonyms

4-phenyl-4-(phenylsulfonyl)butan-2-one4-(benzenesulfonyl)-4-phenylbutan-2-one62692-46-02-Butanone, 4-phenyl-4-(phenylsulfonyl)-DTXSID40386037STK952536AKOS002218822AKOS0162451774-phenyl-4-(phenylsulfonyl)-2-butanoneST45173768

Database identifiers

CAS: 62692-46-0
PubChem CID: 2851290
DTXSID: DTXSID40386037

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 59.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 409

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