4-(m-Methylcinnamyl)-4-phenyl-5-oxo-7-(p-chlorophenyl)-6-heptenoic Acid
Basic information
- Standard SMILES
Cc1cccc(C=CCC(CCC(=O)O)(C(=O)C=Cc2ccc(Cl)cc2)c2ccccc2)c1- InChIKey
LQPVRJVKJHZPGL-UHFFFAOYSA-N- Molecular formula
- C29H27ClO3
- Average molar mass
- 459 g/mol
Names & identifiers
- Preferred name
- 4-(m-Methylcinnamyl)-4-phenyl-5-oxo-7-(p-chlorophenyl)-6-heptenoic Acid
- IUPAC
- 7-(4-chlorophenyl)-4-[3-(3-methylphenyl)prop-2-enyl]-5-oxo-4-phenylhept-6-enoic acid
Names & synonyms
SCHEMBL11804949LQPVRJVKJHZPGL-UHFFFAOYSA-N4-(m-Methylcinnamyl)-4-phenyl-5-oxo-7-(p-chlorophenyl)-6-heptenoic Acid
Database identifiers
- PubChem CID
- 54047553
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 685
Related reactions
1 records
Compound notes
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