Basic information
- CAS
63114-81-8- Standard SMILES
CC1C(=O)C(C)C(c2ccc(Cl)cc2)OC1c1ccccc1- InChIKey
BEVCAYSGCZTMKZ-UHFFFAOYSA-N- Molecular formula
- C19H19ClO2
- Average molar mass
- 314.8 g/mol
- Monoisotopic mass
- 314.1073575
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one
- IUPAC
- 2-(4-chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one
Names & synonyms
63114-81-82-(4-chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-oneNSC296325DTXSID60315703NSC-296325
Database identifiers
- CAS
63114-81-8- PubChem CID
- 326147
- DTXSID
DTXSID60315703
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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