3-(2-Oxo-1-phenylcyclohexyl)butanoic acid
Basic information
- CAS
788-56-7- Standard SMILES
CC(CC(=O)O)C1(c2ccccc2)CCCCC1=O- InChIKey
KGQKCKNIGGRZJO-UHFFFAOYSA-N- Molecular formula
- C16H20O3
- Average molar mass
- 260.33 g/mol
- Monoisotopic mass
- 260.1412445
Names & identifiers
- Preferred name
- 3-(2-Oxo-1-phenylcyclohexyl)butanoic acid
- IUPAC
- 3-(2-oxo-1-phenylcyclohexyl)butanoic acid
- English name
- β-Methyl-2-oxo-1-phenylcyclohexanepropionic acid
- Molecular formula
- C16H20O3
- Molecular weight
- 260.33
Names & synonyms
3-(2-oxo-1-phenylcyclohexyl)butanoic acid788-56-7DTXSID501000026RefChem:1066613DTXCID601426994BRN 2749585beta-Methyl-2-oxo-1-phenylcyclohexanepropionic acidAcido 2-fenilcicloessanon-2-beta-butirrico [Italian]Cyclohexanepropionic acid, beta-methyl-2-oxo-1-phenyl-Acido 2-fenilcicloessanon-2-beta-butirricoβ-Methyl-2-oxo-1-phenylcyclohexanepropionic acidCyclohexanepropanoic acid, β-methyl-2-oxo-1-phenyl-
Database identifiers
- CAS
788-56-7- PubChem CID
- 120802
- DTXSID
DTXSID501000026- Nikkaji
- J75.428E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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