3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3643-2278 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 366.29 |
| Molecular Formula: | C18 H13 F3 O5 |
| Smiles: | COc1ccc(cc1OC)C1=C(C(F)(F)F)Oc2cc(ccc2C1=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.2758 |
| logD: | 2.6968 |
| logSw: | -3.4084 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.156 |
| InChI Key: | WYVFALHDGUUCAQ-UHFFFAOYSA-N |