Basic information
- CAS
253665-04-2- Standard SMILES
CC(C)(C)CC(=O)c1cc(Cl)ccc1O- InChIKey
VILSZYMNLYDQBB-UHFFFAOYSA-N- Molecular formula
- C12H15ClO2
- Average molar mass
- 226.7 g/mol
- Monoisotopic mass
- 226.0760574
Names & identifiers
- Preferred name
- 1-(5-Chloro-2-hydroxyphenyl)-3,3-dimethylbutan-1-one
- IUPAC
- 1-(5-chloro-2-hydroxyphenyl)-3,3-dimethylbutan-1-one
Names & synonyms
1-(5-chloro-2-hydroxyphenyl)-3,3-dimethylbutan-1-one253665-04-2DTXSID60379603
Database identifiers
- CAS
253665-04-2- PubChem CID
- 2775596
- DTXSID
DTXSID60379603
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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