methyl 4-({[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}methyl)benzoate
methyl 4-({[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}methyl)benzoate
Compound characteristics
| Compound ID: | 5976-1778 |
| Compound Name: | methyl 4-({[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}methyl)benzoate |
| Molecular Weight: | 484.43 |
| Molecular Formula: | C26 H19 F3 O6 |
| Smiles: | Cc1cccc(c1)OC1=C(C(F)(F)F)Oc2cc(ccc2C1=O)OCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.1768 |
| logD: | 6.1768 |
| logSw: | -5.6083 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.016 |
| InChI Key: | XSWWVXIIYGMVJJ-UHFFFAOYSA-N |