1-(4-Methylphenyl)sulfonyl-1-phenylpropan-2-one
Basic information
- CAS
14195-17-6- Standard SMILES
CC(=O)C(c1ccccc1)S(=O)(=O)c1ccc(C)cc1- InChIKey
AEUARRBQSDPWMR-UHFFFAOYSA-N- Molecular formula
- C16H16O3S
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.08201554
Names & identifiers
- Preferred name
- 1-(4-Methylphenyl)sulfonyl-1-phenylpropan-2-one
- IUPAC
- 1-(4-methylphenyl)sulfonyl-1-phenylpropan-2-one
Names & synonyms
14195-17-61-(4-methylphenyl)sulfonyl-1-phenylpropan-2-oneNSC338139DTXSID70318942NSC-3381391-(4-Methylbenzene-1-sulfonyl)-1-phenylpropan-2-one
Database identifiers
- CAS
14195-17-6- PubChem CID
- 333976
- DTXSID
DTXSID70318942
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 421
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Compound notes
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