Basic information
- Standard SMILES
CCOC(=O)C(=Cc1ccccc1)C(=O)c1ccccc1- InChIKey
BHKXLHNAIARBLO-UHFFFAOYSA-N- Molecular formula
- C18H16O3
- Average molar mass
- 280.3 g/mol
Names & identifiers
- Preferred name
- Benzylidene-benzoylacetic acid ethyl ester
- IUPAC
- ethyl 2-benzoyl-3-phenylprop-2-enoate
Names & synonyms
benzylidene-benzoylacetic acid ethyl esterMLS002920514ethyl 2-benzoyl-3-phenylprop-2-enoateethyl benzylidenebenzoylacetateSCHEMBL4778536CHEMBL1892649BHKXLHNAIARBLO-UHFFFAOYSA-Nbenzylidenebenzoylacetic acid ethyl esterethyl 2-benzoyl-3-phenyl-prop-2-enoateSMR001798103
Database identifiers
- PubChem CID
- 140230
- ChEMBL
CHEMBL1892649
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Related reactions
8 records
Compound notes
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