HuagongsheHuagongshe Chemistry Print Report · For research reference only
DB-2073
2-n-hexyl-5-n-propylresorcinol · 2-hexyl-5-propylbenzene-1,3-diol · 1,3-Benzenediol, 2-hexyl-5-propyl-

Identifiers & Physical Properties
| CAS No. | 39341-78-1 |
|---|---|
| Molecular formula | C15H24O2 |
| Average molar mass | 236.35 g/mol |
| Monoisotopic mass | 236.17763001 g/mol |
| SMILES | CCCCCCc1c(O)cc(CCC)cc1O |
| InChIKey | VERGPVBZPMTZDY-UHFFFAOYSA-N |
| PubChem CID | 197183 |
| ChEMBL | CHEMBL496837 |
| ChEBI | CHEBI:168034 |
| DTXSID | DTXSID10192566 |
Chemical & Physical Properties
| XLogP | 5.5 |
|---|---|
| Topological polar surface area | 40.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 7 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 181 |
| Lipids | Lipids -> Polyketides [PK] -> Phenolic lipids [PK15] -> Alkyl resorcinols and derivatives [PK1503] |
| Melting point | 87 °C(Solv: hexane (110-54-3)) |
| Boiling point | 379.2±12.0 °C(Predicted) |
| Density | 1.008±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 10.25±0.15(Predicted) |
| FDA UNII | E3BW82CH2T |