Basic information
- Standard SMILES
COc1ccc(C(Cl)=C(C=O)c2ccc(OC)c(OC)c2)cc1OC- InChIKey
WFAINMQUZRDRQU-UHFFFAOYSA-N- Molecular formula
- C19H19ClO5
- Average molar mass
- 362.8 g/mol
Names & identifiers
- Preferred name
- 2-Propenal, 3-chloro-2,3-bis(3,4-dimethoxyphenyl)-
- IUPAC
- 3-chloro-2,3-bis(3,4-dimethoxyphenyl)prop-2-enal
Names & synonyms
MLS003373959SCHEMBL9771784CHEMBL1896276WFAINMQUZRDRQU-UHFFFAOYSA-NNCI60_005449SMR0020487482,3-Bis-(3,4-Dimethoxyphenyl)-3-Chloropropenal2-Propenal, 3-chloro-2,3-bis(3,4-dimethoxyphenyl)-
Database identifiers
- PubChem CID
- 358220
- ChEMBL
CHEMBL1896276
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 467
Related reactions
1 records
Compound notes
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