2-Methyl-6-phenyl-3-cyclohexene-1-carbonitrile
Basic information
- CAS
100710-33-6- Standard SMILES
CC1C=CCC(c2ccccc2)C1C#N- InChIKey
BWZFXGVTJFKMMC-UHFFFAOYSA-N- Molecular formula
- C14H15N
- Average molar mass
- 197.27 g/mol
- Monoisotopic mass
- 197.12044948
Names & identifiers
- Preferred name
- 2-Methyl-6-phenyl-3-cyclohexene-1-carbonitrile
- IUPAC
- 2-methyl-6-phenylcyclohex-3-ene-1-carbonitrile
Names & synonyms
2-Methyl-6-phenyl-3-cyclohexene-1-carbonitrile100710-33-6DTXSID8012471043-Methyl-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carbonitrile
Database identifiers
- CAS
100710-33-6- PubChem CID
- 165348917
- DTXSID
DTXSID801247104
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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