diethyl 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
diethyl 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
diethyl 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 5665-0049 |
| Compound Name: | diethyl 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C21 H28 O8 |
| Smiles: | CCOC(C1C(C(C(=O)OCC)C(C)(CC1=O)O)c1ccc(c(c1)OCC)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0887 |
| logD: | 2.0696 |
| logSw: | -2.3495 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.998 |
| InChI Key: | ZVPURIHDZWQVOT-UHFFFAOYSA-N |