2-[4-(Methanesulfonyl)phenyl]-1-phenylethan-1-one
Basic information
- CAS
198126-70-4- Standard SMILES
CS(=O)(=O)c1ccc(CC(=O)c2ccccc2)cc1- InChIKey
DIIBQSRZBCMWLA-UHFFFAOYSA-N- Molecular formula
- C15H14O3S
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.06636548
Names & identifiers
- Preferred name
- 2-[4-(Methanesulfonyl)phenyl]-1-phenylethan-1-one
- IUPAC
- 2-(4-methylsulfonylphenyl)-1-phenylethanone
Names & synonyms
198126-70-42-[4-(Methanesulfonyl)phenyl]-1-phenylethan-1-oneSCHEMBL63412794-methylsulfonylphenyl-actophenoneDTXSID00624386DIIBQSRZBCMWLA-UHFFFAOYSA-NAKOS012501420
Database identifiers
- CAS
198126-70-4- PubChem CID
- 22285757
- DTXSID
DTXSID00624386- Nikkaji
- J3.229.532K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 394
Related reactions
1 records
Compound notes
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