2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(3-hydroxy-4-methoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(3-hydroxy-4-methoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(3-hydroxy-4-methoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 8006-5195 |
| Compound Name: | 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(3-hydroxy-4-methoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C24 H30 O6 |
| Smiles: | CC1(C)CC(=C(C(C2C(CC(C)(C)CC2=O)=O)c2ccc(c(c2)O)OC)C(C1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2889 |
| logD: | -0.0442 |
| logSw: | -2.3779 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.179 |
| InChI Key: | OHGUZBCLDFOJCT-HXUWFJFHSA-N |