methyl 4-{[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
methyl 4-{[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | Y040-1179 |
| Compound Name: | methyl 4-{[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C21 H20 O5 |
| Smiles: | CCC1=CC(=O)Oc2c1ccc(c2C)OCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5487 |
| logD: | 4.5487 |
| logSw: | -4.755 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.818 |
| InChI Key: | VQELCXCKEVXFHP-UHFFFAOYSA-N |