Basic information
- CAS
6050-53-9- Standard SMILES
CC(C)(C)C(=O)C(O)c1ccccc1- InChIKey
OMCHIZWOLPZRHK-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 1-Hydroxy-3,3-dimethyl-1-phenylbutan-2-one
- IUPAC
- 1-hydroxy-3,3-dimethyl-1-phenylbutan-2-one
Names & synonyms
1-hydroxy-3,3-dimethyl-1-phenylbutan-2-one6050-53-9DTXSID00284742RefChem:230855DTXCID80235893NSC38782SCHEMBL6964334NSC-38782
Database identifiers
- CAS
6050-53-9- PubChem CID
- 236355
- DTXSID
DTXSID00284742- Nikkaji
- J392.320G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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