Basic information
- Standard SMILES
Cc1cc(C)cc(C(=O)C[C@@H](C)CCl)c1- InChIKey
BBENISRWEOJBFC-LLVKDONJSA-N- Molecular formula
- C13H17ClO
- Average molar mass
- 224.72 g/mol
Names & identifiers
- Preferred name
- (R)-4-chloro-1-(3,5-dimethylphenyl)-3-methylbutan-1-one
- IUPAC
- (3R)-4-chloro-1-(3,5-dimethylphenyl)-3-methylbutan-1-one
Names & synonyms
SCHEMBL7457008BBENISRWEOJBFC-LLVKDONJSA-N(R)-4-chloro-1-(3,5-dimethylphenyl)-3-methylbutan-1-one
Database identifiers
- PubChem CID
- 53672991
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Related reactions
2 records
Compound notes
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