2,4-diacetyl-5-hydroxy-3-(3-methoxyphenyl)-5-methylcyclohexan-1-one
Chemical Structure Depiction of
2,4-diacetyl-5-hydroxy-3-(3-methoxyphenyl)-5-methylcyclohexan-1-one
2,4-diacetyl-5-hydroxy-3-(3-methoxyphenyl)-5-methylcyclohexan-1-one
Compound characteristics
| Compound ID: | 4393-0221 |
| Compound Name: | 2,4-diacetyl-5-hydroxy-3-(3-methoxyphenyl)-5-methylcyclohexan-1-one |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C18 H22 O5 |
| Smiles: | CC(C1C(C(C(C)=O)C(C)(CC1=O)O)c1cccc(c1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4965 |
| logD: | 0.6853 |
| logSw: | -1.5887 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.929 |
| InChI Key: | KBQZOQZWORZASV-UHFFFAOYSA-N |