Tert-butyl 3-oxo-3-(4-phenylphenyl)propanoate
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Basic information
- CAS
849641-73-2- Standard SMILES
CC(C)(C)OC(=O)CC(=O)c1ccc(-c2ccccc2)cc1- InChIKey
RXIWJBSIYXDABJ-UHFFFAOYSA-N- Molecular formula
- C19H20O3
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.1412445
Names & identifiers
- Preferred name
- Tert-butyl 3-oxo-3-(4-phenylphenyl)propanoate
- IUPAC
- tert-butyl 3-oxo-3-(4-phenylphenyl)propanoate
- English name
- BETA-OXO-4-PHENYL-BENZENEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER
- Molecular formula
- C19H20O3
- Molecular weight
- 296.364
Names & synonyms
SCHEMBL138711041,1-Dimethylethyl β-oxo[1,1'-biphenyl]-4-propanoate1,1-Dimethylethyl β-oxo[1,1'-biphenyl]-4-propanoateBETA-OXO-4-PHENYL-BENZENEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER
Database identifiers
- CAS
849641-73-2- PubChem CID
- 57636409
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
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