Basic information
- Standard SMILES
CCc1ccc(C(=CC#N)c2ccc(OC)c(OC)c2)cc1CC- InChIKey
LLSGKEDXCZPKRS-UHFFFAOYSA-N- Molecular formula
- C21H23NO2
- Average molar mass
- 321.4 g/mol
Names & identifiers
- Preferred name
- 3-(3,4-Diethylphenyl)-3-(3,4-dimethoxyphenyl)acrylonitrile
- IUPAC
- 3-(3,4-diethylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
Names & synonyms
SCHEMBL4823944SCHEMBL8270342LLSGKEDXCZPKRS-UHFFFAOYSA-N3-(3,4-Diethylphenyl)-3-(3,4-dimethoxyphenyl)acrylonitrile
Database identifiers
- PubChem CID
- 54040106
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 464
Related reactions
6 records
Compound notes
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