2,4-diacetyl-3-(4-chlorophenyl)-5-hydroxy-5-methylcyclohexan-1-one
Chemical Structure Depiction of
2,4-diacetyl-3-(4-chlorophenyl)-5-hydroxy-5-methylcyclohexan-1-one
2,4-diacetyl-3-(4-chlorophenyl)-5-hydroxy-5-methylcyclohexan-1-one
Compound characteristics
| Compound ID: | 5340-1383 |
| Compound Name: | 2,4-diacetyl-3-(4-chlorophenyl)-5-hydroxy-5-methylcyclohexan-1-one |
| Molecular Weight: | 322.79 |
| Molecular Formula: | C17 H19 Cl O4 |
| Smiles: | CC(C1C(C(C(C)=O)C(C)(CC1=O)O)c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0722 |
| logD: | 1.261 |
| logSw: | -2.5941 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.386 |
| InChI Key: | VFCCNJCFFPULCZ-UHFFFAOYSA-N |