methyl {[3-(4-fluorophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
methyl {[3-(4-fluorophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
methyl {[3-(4-fluorophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | Y040-0333 |
| Compound Name: | methyl {[3-(4-fluorophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 328.29 |
| Molecular Formula: | C18 H13 F O5 |
| Smiles: | COC(COc1ccc2C=C(C(=O)Oc2c1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7109 |
| logD: | 2.7109 |
| logSw: | -3.0841 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.967 |
| InChI Key: | YHWKSXIONNTFML-UHFFFAOYSA-N |