4-{[4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenoxy]methyl}benzoic acid
Chemical Structure Depiction of
4-{[4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenoxy]methyl}benzoic acid
4-{[4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenoxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | 6134-4308 |
| Compound Name: | 4-{[4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenoxy]methyl}benzoic acid |
| Molecular Weight: | 488.54 |
| Molecular Formula: | C29 H28 O7 |
| Smiles: | CCOc1cc(ccc1OCc1ccc(cc1)C(O)=O)C1C2=C(CCCC2=O)OC2CCCC(C1=2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0731 |
| logD: | 1.1016 |
| logSw: | -4.3153 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.33 |
| InChI Key: | JDUQKFBKRCLHHF-UHFFFAOYSA-N |