3-(4-tert-butylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(4-tert-butylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(4-tert-butylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3057-1790 |
| Compound Name: | 3-(4-tert-butylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 378.35 |
| Molecular Formula: | C20 H17 F3 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)OC1=C(C(F)(F)F)Oc2cc(ccc2C1=O)O |
| Stereo: | ACHIRAL |
| logP: | 5.507 |
| logD: | 4.9279 |
| logSw: | -5.3271 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.232 |
| InChI Key: | QHISRQYOGVXAHK-UHFFFAOYSA-N |