Basic information
- CAS
35158-27-1- Standard SMILES
CC(=O)c1cc(CC(C)C)cc(CC(C)C)c1O- InChIKey
IULCTOGKLHPSNL-UHFFFAOYSA-N- Molecular formula
- C16H24O2
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.17763
Names & identifiers
- Preferred name
- 1-[2-Hydroxy-3,5-bis(2-methylpropyl)phenyl]ethanone
- IUPAC
- 1-[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]ethanone
Names & synonyms
DTXSID1012255171-[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]ethanone1-[2-Hydroxy-3,5-bis(2-methylpropyl)phenyl]ethan-1-one35158-27-1
Database identifiers
- CAS
35158-27-1- PubChem CID
- 129836070
- DTXSID
DTXSID101225517
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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