2-{[3-(benzyloxy)phenyl](2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl}-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-{[3-(benzyloxy)phenyl](2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl}-5,5-dimethylcyclohexane-1,3-dione
2-{[3-(benzyloxy)phenyl](2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl}-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 8008-8828 |
| Compound Name: | 2-{[3-(benzyloxy)phenyl](2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl}-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 474.6 |
| Molecular Formula: | C30 H34 O5 |
| Smiles: | CC1(C)CC(=C(C(C2C(CC(C)(C)CC2=O)=O)c2cccc(c2)OCc2ccccc2)C(C1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3336 |
| logD: | 2.0005 |
| logSw: | -4.6266 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.228 |
| InChI Key: | AFMYPXRUXAYTFM-AREMUKBSSA-N |