dimethyl 2-(3-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-(3-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
dimethyl 2-(3-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 6049-1722 |
| Compound Name: | dimethyl 2-(3-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 399.24 |
| Molecular Formula: | C17 H19 Br O6 |
| Smiles: | CC1(CC(C(C(C1C(=O)OC)c1cccc(c1)[Br])C(=O)OC)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3594 |
| logD: | 2.291 |
| logSw: | -2.3654 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.08 |
| InChI Key: | WKJCWCYWGAZBJM-UHFFFAOYSA-N |