5-(4-Methoxyphenyl)-2-(1-naphthyl)-5-oxo-3-phenylpentanenitrile
Basic information
- CAS
113341-18-7- Standard SMILES
COc1ccc(C(=O)CC(c2ccccc2)C(C#N)c2cccc3ccccc23)cc1- InChIKey
SBQUBVHZJJOINF-UHFFFAOYSA-N- Molecular formula
- C28H23NO2
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.17287898
Names & identifiers
- Preferred name
- 5-(4-Methoxyphenyl)-2-(1-naphthyl)-5-oxo-3-phenylpentanenitrile
- IUPAC
- 5-(4-methoxyphenyl)-2-naphthalen-1-yl-5-oxo-3-phenylpentanenitrile
Names & synonyms
AKOS0023450585-(4-METHOXYPHENYL)-2-(1-NAPHTHYL)-5-OXO-3-PHENYLPENTANENITRILE
Database identifiers
- CAS
113341-18-7- PubChem CID
- 4293147
- EC Number
- 123-075-2
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 622
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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