4-Bicyclo[2.2.2]octanyl(phenyl)methanone
Basic information
- CAS
58541-27-8- Standard SMILES
O=C(c1ccccc1)C12CCC(CC1)CC2- InChIKey
RYCNBHSKKYPNOA-UHFFFAOYSA-N- Molecular formula
- C15H18O
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.13576519
Names & identifiers
- Preferred name
- 4-Bicyclo[2.2.2]octanyl(phenyl)methanone
- IUPAC
- 1-bicyclo[2.2.2]octanyl(phenyl)methanone
Names & synonyms
58541-27-84-bicyclo[2.2.2]octanyl(phenyl)methanoneNSC254075DTXSID50330420NSC-2540751-bicyclo[2.2.2]octyl-phenyl-methanoneDS-002770(Bicyclo[2.2.2]octan-1-yl)(phenyl)methanone
Database identifiers
- CAS
58541-27-8- PubChem CID
- 429368
- DTXSID
DTXSID50330420
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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