3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl acetate
3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl acetate
Compound characteristics
| Compound ID: | 4790-0227 |
| Compound Name: | 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl acetate |
| Molecular Weight: | 392.33 |
| Molecular Formula: | C20 H15 F3 O5 |
| Smiles: | CC(=O)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)Oc1cc(C)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4424 |
| logD: | 4.4424 |
| logSw: | -4.5582 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.366 |
| InChI Key: | NKPSIHAACMIVTO-UHFFFAOYSA-N |