benzyl {[3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
benzyl {[3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
benzyl {[3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | 4358-3761 |
| Compound Name: | benzyl {[3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 430.46 |
| Molecular Formula: | C26 H22 O6 |
| Smiles: | Cc1ccc(C)c(c1)OC1=COc2cc(ccc2C1=O)OCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1845 |
| logD: | 5.1845 |
| logSw: | -5.1928 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.418 |
| InChI Key: | CSQGUHUCENEKHQ-UHFFFAOYSA-N |