methyl 4-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
methyl 4-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | Y040-6916 |
| Compound Name: | methyl 4-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate |
| Molecular Weight: | 324.33 |
| Molecular Formula: | C19 H16 O5 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5598 |
| logD: | 3.5598 |
| logSw: | -3.6669 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.047 |
| InChI Key: | SXKPOYYSOOKSTB-UHFFFAOYSA-N |