Basic information
- CAS
91003-15-5- Standard SMILES
O=C1CCCC(c2ccccc2Cl)=C1O- InChIKey
KYRMZJGYYAFHTR-UHFFFAOYSA-N- Molecular formula
- C12H11ClO2
- Average molar mass
- 222.67 g/mol
- Monoisotopic mass
- 222.0447573
Names & identifiers
- Preferred name
- 2-Cyclohexen-1-one, 3-(2-chlorophenyl)-2-hydroxy-
- IUPAC
- 3-(2-chlorophenyl)-2-hydroxycyclohex-2-en-1-one
Names & synonyms
91003-15-52-Cyclohexen-1-one, 3-(2-chlorophenyl)-2-hydroxy-DTXSID802383642'-Chloro-2-hydroxy-5,6-dihydro[1,1'-biphenyl]-3(4H)-one
Database identifiers
- CAS
91003-15-5- PubChem CID
- 185065
- DTXSID
DTXSID80238364
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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