methyl {[3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
methyl {[3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
methyl {[3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | 5848-4168 |
| Compound Name: | methyl {[3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 422.36 |
| Molecular Formula: | C21 H17 F3 O6 |
| Smiles: | CCc1ccc(cc1)OC1=C(C(F)(F)F)Oc2cc(ccc2C1=O)OCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4465 |
| logD: | 4.4465 |
| logSw: | -4.5523 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.693 |
| InChI Key: | XXUWCGSQGIPPOR-UHFFFAOYSA-N |