4-{[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-methoxyphenoxy]methyl}benzoic acid
Chemical Structure Depiction of
4-{[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-methoxyphenoxy]methyl}benzoic acid
4-{[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-methoxyphenoxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | 6134-4254 |
| Compound Name: | 4-{[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-methoxyphenoxy]methyl}benzoic acid |
| Molecular Weight: | 553.41 |
| Molecular Formula: | C28 H25 Br O7 |
| Smiles: | COc1cc(cc(c1OCc1ccc(cc1)C(O)=O)[Br])C1C2=C(CCCC2=O)OC2CCCC(C1=2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8765 |
| logD: | 1.905 |
| logSw: | -4.7953 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.837 |
| InChI Key: | XPIQBAWSDHXIHT-UHFFFAOYSA-N |