(3S,6R)-4-(4-chlorophenyl)-6-methyl-3-phenyloxan-2-one
Basic information
- CAS
75115-74-1- Standard SMILES
C[C@@H]1CC(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C(=O)O1- InChIKey
QSAFSJAOPPHPTK-SCWIMFDPSA-N- Molecular formula
- C18H17ClO2
- Average molar mass
- 300.8 g/mol
- Monoisotopic mass
- 300.0917075
Names & identifiers
- Preferred name
- (3S,6R)-4-(4-chlorophenyl)-6-methyl-3-phenyloxan-2-one
- IUPAC
- (3S,6R)-4-(4-chlorophenyl)-6-methyl-3-phenyloxan-2-one
Names & synonyms
75115-74-1AC1L7CFX(3S,6R)-4-(4-chlorophenyl)-6-methyl-3-phenyloxan-2-oneDTXSID80318594NSC332790NSC-332790
Database identifiers
- CAS
75115-74-1- PubChem CID
- 333064
- DTXSID
DTXSID80318594
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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