[1-Oxo-1-(4-phenylphenyl)butan-2-yl] benzoate
Basic information
- CAS
7462-96-6- Standard SMILES
CCC(OC(=O)c1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1- InChIKey
ZEMPBDWBPVNHGL-UHFFFAOYSA-N- Molecular formula
- C23H20O3
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.1412445
Names & identifiers
- Preferred name
- [1-Oxo-1-(4-phenylphenyl)butan-2-yl] benzoate
- IUPAC
- [1-oxo-1-(4-phenylphenyl)butan-2-yl] benzoate
Names & synonyms
7462-96-6[1-oxo-1-(4-phenylphenyl)butan-2-yl] benzoateNSC402170DTXSID60322851NSC-4021701-([1,1'-Biphenyl]-4-yl)-1-oxobutan-2-yl benzoate
Database identifiers
- CAS
7462-96-6- PubChem CID
- 344980
- DTXSID
DTXSID60322851
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 452
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Compound notes
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