4-(3-ethoxy-4-hydroxyphenyl)-3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]but-3-en-2-one
Chemical Structure Depiction of
4-(3-ethoxy-4-hydroxyphenyl)-3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]but-3-en-2-one
4-(3-ethoxy-4-hydroxyphenyl)-3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]but-3-en-2-one
Compound characteristics
| Compound ID: | Y501-2196 |
| Compound Name: | 4-(3-ethoxy-4-hydroxyphenyl)-3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]but-3-en-2-one |
| Molecular Weight: | 340.3 |
| Molecular Formula: | C16 H15 F3 N2 O3 |
| Smiles: | CCOc1cc(\C=C(/C(C)=O)n2ccc(C(F)(F)F)n2)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 2.7368 |
| logD: | 2.7343 |
| logSw: | -2.7691 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.941 |
| InChI Key: | MPUVMJCWWWINGI-UHFFFAOYSA-N |