Basic information
- Standard SMILES
COc1cccc(CC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1- InChIKey
RMCRRCQHYGWHOL-FNORWQNLSA-N- Molecular formula
- C17H14Cl2O2
- Average molar mass
- 321.2 g/mol
Names & identifiers
- Preferred name
- (E)-4-(3,4-dichlorophenyl)-1-(3-methoxyphenyl)but-3-en-2-one
- IUPAC
- (E)-4-(3,4-dichlorophenyl)-1-(3-methoxyphenyl)but-3-en-2-one
Names & synonyms
SCHEMBL814662RMCRRCQHYGWHOL-FNORWQNLSA-N(E)-4-(3,4-dichlorophenyl)-1-(3-methoxyphenyl)but-3-en-2-one
Database identifiers
- PubChem CID
- 58950747
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Related reactions
1 records
Compound notes
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