Basic information
- Standard SMILES
CC(C)(C)C1CC(c2ccccc2)CC(Cl)C1=O- InChIKey
SLVUSOBENQLINV-UHFFFAOYSA-N- Molecular formula
- C16H21ClO
- Average molar mass
- 264.79 g/mol
Names & identifiers
- Preferred name
- 2-Tert-butyl-6-chloro-4-phenyl-cyclohexanone
- IUPAC
- 2-tert-butyl-6-chloro-4-phenylcyclohexan-1-one
Names & synonyms
2-tert-butyl-6-chloro-4-phenyl-cyclohexanone765940-92-9SCHEMBL3539613SLVUSOBENQLINV-UHFFFAOYSA-NDB-365320
Database identifiers
- PubChem CID
- 68682011
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Related reactions
2 records
Compound notes
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