2-[(5-bromo-2-hydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(5-bromo-2-hydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
2-[(5-bromo-2-hydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 8006-8128 |
| Compound Name: | 2-[(5-bromo-2-hydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 463.37 |
| Molecular Formula: | C23 H27 Br O5 |
| Smiles: | CC1(C)CC(=C(C(C2C(CC(C)(C)CC2=O)=O)c2cc(ccc2O)[Br])C(C1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4224 |
| logD: | 1.0893 |
| logSw: | -3.1004 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.549 |
| InChI Key: | XWVVLNASOXHMDH-LJQANCHMSA-N |