diethyl 2-(5-bromo-2-methoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
diethyl 2-(5-bromo-2-methoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
diethyl 2-(5-bromo-2-methoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K908-0003 |
| Compound Name: | diethyl 2-(5-bromo-2-methoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 457.32 |
| Molecular Formula: | C20 H25 Br O7 |
| Smiles: | CCOC(C1C(C(C(=O)OCC)C(C)(CC1=O)O)c1cc(ccc1OC)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2394 |
| logD: | 3.2203 |
| logSw: | -3.1242 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.87 |
| InChI Key: | UEFCRCRJRYXOGX-UHFFFAOYSA-N |