methyl 4-({[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}methyl)benzoate
methyl 4-({[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}methyl)benzoate
Compound characteristics
| Compound ID: | 5976-1770 |
| Compound Name: | methyl 4-({[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}methyl)benzoate |
| Molecular Weight: | 500.43 |
| Molecular Formula: | C26 H19 F3 O7 |
| Smiles: | COC(c1ccc(COc2ccc3C(C(=C(C(F)(F)F)Oc3c2)Oc2ccc(cc2)OC)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7539 |
| logD: | 5.7539 |
| logSw: | -5.6156 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.56 |
| InChI Key: | JNYXELMBQQRGLJ-UHFFFAOYSA-N |