4-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
4-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | D715-0023 |
| Compound Name: | 4-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid |
| Molecular Weight: | 310.3 |
| Molecular Formula: | C18 H14 O5 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3173 |
| logD: | 0.3458 |
| logSw: | -3.3794 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.281 |
| InChI Key: | VYVQQZMKVHGRJA-UHFFFAOYSA-N |