4-{[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]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)phenoxy]methyl}benzoic acid
4-{[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | 6134-4245 |
| Compound Name: | 4-{[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]methyl}benzoic acid |
| Molecular Weight: | 523.38 |
| Molecular Formula: | C27 H23 Br O6 |
| Smiles: | C1CC2=C(C(C3=C(CCCC3=O)O2)c2ccc(c(c2)[Br])OCc2ccc(cc2)C(O)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7047 |
| logD: | 1.7332 |
| logSw: | -4.8317 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.12 |
| InChI Key: | IGKDGJGGAWEDFG-UHFFFAOYSA-N |