4-{[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
4-{[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | D715-0216 |
| Compound Name: | 4-{[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid |
| Molecular Weight: | 324.33 |
| Molecular Formula: | C19 H16 O5 |
| Smiles: | CCC1=CC(=O)Oc2cc(ccc12)OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7236 |
| logD: | 0.7521 |
| logSw: | -3.961 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.281 |
| InChI Key: | SAPUUAVIUWAMQD-UHFFFAOYSA-N |