2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate
Basic information
- CAS
7469-79-6- Standard SMILES
CC(C)(OC(=O)c1ccccc1)C(=O)c1ccccc1- InChIKey
JLLUVBDBLCCITQ-UHFFFAOYSA-N- Molecular formula
- C17H16O3
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.10994437
Names & identifiers
- Preferred name
- 2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate
- IUPAC
- (2-methyl-1-oxo-1-phenylpropan-2-yl) benzoate
Names & synonyms
7469-79-6NSC4022152-Methyl-1-oxo-1-phenylpropan-2-yl benzoateSCHEMBL16576962DTXSID60322876NSC-402215
Database identifiers
- CAS
7469-79-6- PubChem CID
- 345013
- DTXSID
DTXSID60322876
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 347
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Compound notes
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