HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Bromo-3-[3-(1-hydroxyhexyl)-phenoxy]-propane
![1-Bromo-3-[3-(1-hydroxyhexyl)-phenoxy]-propane molecular structure](/img/chemical/19829500.png)
Identifiers & Physical Properties
| Molecular formula | C15H23BrO2 |
|---|---|
| Average molar mass | 315.25 g/mol |
| Monoisotopic mass | 314.08814 g/mol |
| SMILES | CCCCCC(O)c1cccc(OCCCBr)c1 |
| InChIKey | BUDZKEFSPGBCHY-UHFFFAOYSA-N |
| PubChem CID | 19829500 |
Chemical & Physical Properties
| XLogP | 4.5 |
|---|---|
| Topological polar surface area | 29.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 9 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 199 |