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Basic information
- Standard SMILES
COc1ccc(/C(C#N)=C\c2ccc(O)cc2)cc1OC- InChIKey
QAQHAGQKCVWGNC-ZROIWOOFSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
Names & identifiers
- Preferred name
- (E)-2-(3,4-dimethoxy-phenyl)-3-(4-hydroxy-phenyl)-acrylonitrile
- IUPAC
- (E)-2-(3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enenitrile
Names & synonyms
SCHEMBL4996750QAQHAGQKCVWGNC-ZROIWOOFSA-N(E)-2-(3,4-dimethoxy-phenyl)-3-(4-hydroxy-phenyl)-acrylonitrile
Database identifiers
- PubChem CID
- 39149142
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Related reactions
1 records
Compound notes
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