Basic information
- Standard SMILES
COc1cccc(C(=CC#N)c2ccc(OC)c(OC)c2)c1- InChIKey
MKZVRIBEBCVKCP-UHFFFAOYSA-N- Molecular formula
- C18H17NO3
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 295.1208434
Names & identifiers
- Preferred name
- 3-(3,4-Dimethoxy-phenyl)-3-(3-methoxy-phenyl)-acrylonitrile
- IUPAC
- 3-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)prop-2-enenitrile
Names & synonyms
CHEMBL1915832SCHEMBL4824255MKZVRIBEBCVKCP-UHFFFAOYSA-NBDBM504844093-(3,4-dimethoxy-phenyl)-3-(3-methoxy-phenyl)-acrylonitrile
Database identifiers
- PubChem CID
- 69205015
- ChEMBL
CHEMBL1915832
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 425
Related reactions
3 records
Compound notes
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