4-{[4-bromo-2-(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-{[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]methyl}benzoic acid
4-{[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | 6134-4218 |
| Compound Name: | 4-{[4-bromo-2-(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)c2cc(ccc2OCc2ccc(cc2)C(O)=O)[Br])C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4219 |
| logD: | 2.4504 |
| logSw: | -5.7329 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.12 |
| InChI Key: | GSWQQRNUOLNPDL-UHFFFAOYSA-N |