4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzonitrile
Basic information
- CAS
33084-01-4- Standard SMILES
N#Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1- InChIKey
FKMBGHGEEKGDHP-XNTDXEJSSA-N- Molecular formula
- C23H17NO2
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.12592879
Names & identifiers
- Preferred name
- 4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzonitrile
- IUPAC
- 4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzonitrile
Names & synonyms
NSC321040NSC-321040
Database identifiers
- CAS
33084-01-4- PubChem CID
- 5879952
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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