3-[(4-bromo-2-fluorophenyl)methoxy]-1-hydroxy-9H-xanthen-9-one
Chemical Structure Depiction of
3-[(4-bromo-2-fluorophenyl)methoxy]-1-hydroxy-9H-xanthen-9-one
3-[(4-bromo-2-fluorophenyl)methoxy]-1-hydroxy-9H-xanthen-9-one
Compound characteristics
| Compound ID: | Y040-4360 |
| Compound Name: | 3-[(4-bromo-2-fluorophenyl)methoxy]-1-hydroxy-9H-xanthen-9-one |
| Molecular Weight: | 415.21 |
| Molecular Formula: | C20 H12 Br F O4 |
| Smiles: | C(c1ccc(cc1F)[Br])Oc1cc(c2C(c3ccccc3Oc2c1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 5.4771 |
| logD: | 5.477 |
| logSw: | -5.5011 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.974 |
| InChI Key: | YSNQATOZZOLENL-UHFFFAOYSA-N |