2-Pyren-4-ylcyclohexan-1-one
Basic information
- CAS
111189-40-3- Standard SMILES
O=C1CCCCC1c1cc2cccc3ccc4cccc1c4c32- InChIKey
JEEJUDSQYDSNQK-UHFFFAOYSA-N- Molecular formula
- C22H18O
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.13576519
Names & identifiers
- Preferred name
- 2-Pyren-4-ylcyclohexan-1-one
- IUPAC
- 2-pyren-4-ylcyclohexan-1-one
Names & synonyms
111189-40-32-pyren-4-ylcyclohexan-1-oneDTXSID309120262-(PYREN-4-YL)CYCLOHEXAN-1-ONE
Database identifiers
- CAS
111189-40-3- PubChem CID
- 183185
- DTXSID
DTXSID30912026
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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