2-[(4-methoxyphenyl)methylidene]-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexan-1-one
Chemical Structure Depiction of
2-[(4-methoxyphenyl)methylidene]-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexan-1-one
2-[(4-methoxyphenyl)methylidene]-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexan-1-one
Compound characteristics
| Compound ID: | 5634-0238 |
| Compound Name: | 2-[(4-methoxyphenyl)methylidene]-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexan-1-one |
| Molecular Weight: | 312.29 |
| Molecular Formula: | C16 H15 F3 O3 |
| Smiles: | COc1ccc(\C=C2/CCC\C(=C(/C(F)(F)F)O)C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7961 |
| logD: | 2.0165 |
| logSw: | -4.0773 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.4 |
| InChI Key: | TYOIURGWQCLWEW-UHFFFAOYSA-N |