2-({4-[(4-methylphenyl)methoxy]phenyl}methylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexan-1-one
Chemical Structure Depiction of
2-({4-[(4-methylphenyl)methoxy]phenyl}methylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexan-1-one
2-({4-[(4-methylphenyl)methoxy]phenyl}methylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexan-1-one
Compound characteristics
| Compound ID: | 6237-0575 |
| Compound Name: | 2-({4-[(4-methylphenyl)methoxy]phenyl}methylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexan-1-one |
| Molecular Weight: | 402.41 |
| Molecular Formula: | C23 H21 F3 O3 |
| Smiles: | Cc1ccc(COc2ccc(\C=C3/CCC\C(=C(/C(F)(F)F)O)C3=O)cc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6514 |
| logD: | 3.8718 |
| logSw: | -5.3676 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.084 |
| InChI Key: | WLJQWXPMQFWFEP-UHFFFAOYSA-N |