Basic information
- Standard SMILES
N#Cc1cc(Cl)ccc1OC(OCc1ccccc1)C(=O)c1ccccc1- InChIKey
VVCRAJXQYJFXBN-UHFFFAOYSA-N- Molecular formula
- C22H16ClNO3
- Average molar mass
- 377.8 g/mol
- Monoisotopic mass
- 377.0818711
Names & identifiers
- Preferred name
- omega-(2-Cyano-4-chlorophenoxy)-2-benzyloxy-acetophenone
- IUPAC
- 5-chloro-2-(2-oxo-2-phenyl-1-phenylmethoxyethoxy)benzonitrile
Names & synonyms
SCHEMBL3166200VVCRAJXQYJFXBN-UHFFFAOYSA-Nomega-(2-cyano-4-chlorophenoxy)-2-benzyloxy-acetophenone
Database identifiers
- PubChem CID
- 68535637
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 519
Related reactions
3 records
Compound notes
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