2-Oxo-3-phenyl-3-(2-phenylethyl)cyclohexane-1-carbonitrile
Basic information
- CAS
53586-78-0- Standard SMILES
N#CC1CCCC(CCc2ccccc2)(c2ccccc2)C1=O- InChIKey
CQZPUJPZJWTUIE-UHFFFAOYSA-N- Molecular formula
- C21H21NO
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.16231429
Names & identifiers
- Preferred name
- 2-Oxo-3-phenyl-3-(2-phenylethyl)cyclohexane-1-carbonitrile
- IUPAC
- 2-oxo-3-phenyl-3-(2-phenylethyl)cyclohexane-1-carbonitrile
Names & synonyms
2-Oxo-3-phenyl-3-(2-phenylethyl)cyclohexane-1-carbonitrile53586-78-0DTXSID90314724RefChem:264899DTXCID30265847NSC287553NSC-287553
Database identifiers
- CAS
53586-78-0- PubChem CID
- 324045
- DTXSID
DTXSID90314724
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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