4-{[(2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
4-{[(2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | 3330-4169 |
| Compound Name: | 4-{[(2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C20 H18 O5 |
| Smiles: | CCCC1=CC(=O)Oc2cc(ccc12)OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2366 |
| logD: | 1.2651 |
| logSw: | -4.419 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.281 |
| InChI Key: | PSVAWTCLEAVBHQ-UHFFFAOYSA-N |