methyl [4-methyl-2-oxo-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-3-yl]acetate
Chemical Structure Depiction of
methyl [4-methyl-2-oxo-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-3-yl]acetate
methyl [4-methyl-2-oxo-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-3-yl]acetate
Compound characteristics
| Compound ID: | Y040-2585 |
| Compound Name: | methyl [4-methyl-2-oxo-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-3-yl]acetate |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C21 H18 O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8014 |
| logD: | 2.8014 |
| logSw: | -3.3712 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.214 |
| InChI Key: | DTBRXBWCRWFKIC-UHFFFAOYSA-N |