Basic information
- Standard SMILES
CC(C)(CO)C(=O)COc1ccc(Cl)cc1- InChIKey
SMZJDPIZQCTXJD-UHFFFAOYSA-N- Molecular formula
- C12H15ClO3
- Average molar mass
- 242.7 g/mol
Names & identifiers
- Preferred name
- 1-(p-Chlorophenoxy)-3,3-dimethyl-4-hydroxy-2-butanone
- IUPAC
- 1-(4-chlorophenoxy)-4-hydroxy-3,3-dimethylbutan-2-one
Names & synonyms
SCHEMBL10636693SMZJDPIZQCTXJD-UHFFFAOYSA-N1-(p-chlorophenoxy)-3,3-dimethyl-4-hydroxy-2-butanone
Database identifiers
- PubChem CID
- 20138289
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Related reactions
2 records
Compound notes
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