2-[(4-Methoxyphenyl)methyl]benzonitrile
Basic information
- CAS
6335-84-8- Standard SMILES
COc1ccc(Cc2ccccc2C#N)cc1- InChIKey
WBQZBZXZVJAVRM-UHFFFAOYSA-N- Molecular formula
- C15H13NO
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.09971404
Names & identifiers
- Preferred name
- 2-[(4-Methoxyphenyl)methyl]benzonitrile
- IUPAC
- 2-[(4-methoxyphenyl)methyl]benzonitrile
Names & synonyms
2-[(4-methoxyphenyl)methyl]benzonitrile6335-84-8NSC38823SCHEMBL8971190DTXSID00284762NSC-38823
Database identifiers
- CAS
6335-84-8- PubChem CID
- 236387
- DTXSID
DTXSID00284762
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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