4-{[(4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
4-{[(4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | D715-1210 |
| Compound Name: | 4-{[(4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid |
| Molecular Weight: | 324.33 |
| Molecular Formula: | C19 H16 O5 |
| Smiles: | CC1=CC(=O)Oc2c1ccc(c2C)OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.896 |
| logD: | 0.9246 |
| logSw: | -4.0683 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.052 |
| InChI Key: | JOGWJRNUEUOPQY-UHFFFAOYSA-N |