4-oxo-3-(2,3,5-trimethylphenoxy)-4H-1-benzopyran-7-yl 4-fluorobenzoate
Chemical Structure Depiction of
4-oxo-3-(2,3,5-trimethylphenoxy)-4H-1-benzopyran-7-yl 4-fluorobenzoate
4-oxo-3-(2,3,5-trimethylphenoxy)-4H-1-benzopyran-7-yl 4-fluorobenzoate
Compound characteristics
| Compound ID: | 5976-2396 |
| Compound Name: | 4-oxo-3-(2,3,5-trimethylphenoxy)-4H-1-benzopyran-7-yl 4-fluorobenzoate |
| Molecular Weight: | 418.42 |
| Molecular Formula: | C25 H19 F O5 |
| Smiles: | Cc1cc(C)c(C)c(c1)OC1=COc2cc(ccc2C1=O)OC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7576 |
| logD: | 5.7576 |
| logSw: | -5.6204 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.034 |
| InChI Key: | TXSBMUZDUKVGAD-UHFFFAOYSA-N |