methyl 4-{[(1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]methyl}benzoate
methyl 4-{[(1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | D715-1214 |
| Compound Name: | methyl 4-{[(1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]methyl}benzoate |
| Molecular Weight: | 376.36 |
| Molecular Formula: | C22 H16 O6 |
| Smiles: | COC(c1ccc(COc2cc(c3C(c4ccccc4Oc3c2)=O)O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6887 |
| logD: | 4.6886 |
| logSw: | -4.5186 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.148 |
| InChI Key: | YVSFWAAIBQVHKC-UHFFFAOYSA-N |