Basic information
- Standard SMILES
COc1ccccc1CC(CC#N)c1ccccc1- InChIKey
NIWVZAXUDRWOOJ-UHFFFAOYSA-N- Molecular formula
- C17H17NO
- Average molar mass
- 251.32 g/mol
Names & identifiers
- Preferred name
- 4-(2'-Methoxyphenyl)-3-phenylbutanenitrile
- IUPAC
- 4-(2-methoxyphenyl)-3-phenylbutanenitrile
Names & synonyms
SCHEMBL9802552NIWVZAXUDRWOOJ-UHFFFAOYSA-N4-(2'-Methoxyphenyl)-3-phenylbutanenitrile
Database identifiers
- PubChem CID
- 20069014
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Related reactions
1 records
Compound notes
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