2-[(3,5-dibromo-4-hydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(3,5-dibromo-4-hydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
2-[(3,5-dibromo-4-hydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 8007-0663 |
| Compound Name: | 2-[(3,5-dibromo-4-hydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 542.26 |
| Molecular Formula: | C23 H26 Br2 O5 |
| Smiles: | CC1(C)CC(=C(C(C2C(CC(C)(C)CC2=O)=O)c2cc(c(c(c2)[Br])O)[Br])C(C1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4982 |
| logD: | 1.1651 |
| logSw: | -3.3872 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.48 |
| InChI Key: | FRCPARPUBOWRIS-GOSISDBHSA-N |