2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile
Basic information
- CAS
13670-86-5- Standard SMILES
COc1ccc(C(=O)Cc2ccccc2C#N)cc1- InChIKey
CRGZWLQPHZYWGF-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Names & identifiers
- Preferred name
- 2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile
- IUPAC
- 2-[2-(4-methoxyphenyl)-2-oxoethyl]benzonitrile
Names & synonyms
13670-86-52-[2-(4-methoxyphenyl)-2-oxoethyl]benzonitrileNSC338460DTXSID80319006NSC-338460
Database identifiers
- CAS
13670-86-5- PubChem CID
- 334104
- DTXSID
DTXSID80319006
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…