diethyl 2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
diethyl 2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
diethyl 2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K908-0006 |
| Compound Name: | diethyl 2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 427.29 |
| Molecular Formula: | C19 H23 Br O6 |
| Smiles: | CCOC(C1C(C(C(=O)OCC)C(C)(CC1=O)O)c1ccc(cc1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1592 |
| logD: | 3.1402 |
| logSw: | -2.9857 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.239 |
| InChI Key: | NTNFVQUAJMSDFP-UHFFFAOYSA-N |