Basic information
- Standard SMILES
CCOC(=O)C=CC(=O)c1ccc(-c2ccc(F)cc2)cc1- InChIKey
BUEBFQIJCDLUKF-UHFFFAOYSA-N- Molecular formula
- C18H15FO3
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.1005225
Names & identifiers
- Preferred name
- Ethyl 4-[4-(4-fluorophenyl)phenyl]-4-oxobut-2-enoate
- IUPAC
- ethyl 4-[4-(4-fluorophenyl)phenyl]-4-oxobut-2-enoate
Names & synonyms
SCHEMBL11760682
Database identifiers
- PubChem CID
- 53701424
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
1 records
Compound notes
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