2-[(2,3-dihydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(2,3-dihydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
2-[(2,3-dihydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 5145-0561 |
| Compound Name: | 2-[(2,3-dihydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 400.47 |
| Molecular Formula: | C23 H28 O6 |
| Smiles: | CC1(C)CC(=C(C(C2C(CC(C)(C)CC2=O)=O)c2cccc(c2O)O)C(C1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.331 |
| logD: | -0.0021 |
| logSw: | -2.2845 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.028 |
| InChI Key: | LFMUVCJTXFHQRO-GOSISDBHSA-N |