benzyl {[4-(4-methoxyphenyl)-7-methyl-2-oxo-2H-1-benzopyran-5-yl]oxy}acetate
Chemical Structure Depiction of
benzyl {[4-(4-methoxyphenyl)-7-methyl-2-oxo-2H-1-benzopyran-5-yl]oxy}acetate
benzyl {[4-(4-methoxyphenyl)-7-methyl-2-oxo-2H-1-benzopyran-5-yl]oxy}acetate
Compound characteristics
| Compound ID: | Y040-1301 |
| Compound Name: | benzyl {[4-(4-methoxyphenyl)-7-methyl-2-oxo-2H-1-benzopyran-5-yl]oxy}acetate |
| Molecular Weight: | 430.46 |
| Molecular Formula: | C26 H22 O6 |
| Smiles: | Cc1cc(c2C(=CC(=O)Oc2c1)c1ccc(cc1)OC)OCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8489 |
| logD: | 4.8489 |
| logSw: | -5.0907 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.766 |
| InChI Key: | NXHRCIKOHZVAPI-UHFFFAOYSA-N |