3-(3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 4790-0223 |
| Compound Name: | 3-(3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 350.29 |
| Molecular Formula: | C18 H13 F3 O4 |
| Smiles: | Cc1cc(C)cc(c1)OC1=C(C(F)(F)F)Oc2cc(ccc2C1=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.4952 |
| logD: | 3.9161 |
| logSw: | -4.4351 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.232 |
| InChI Key: | KVUPCMOXROJXJM-UHFFFAOYSA-N |