2-Hexyl-5-Propylresorcinol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL496837 | |
| PubChem: | 197183 | |
| IUPAC: | 2-hexyl-5-propylbenzene-1,3-diol | |
| Standard InChI: | InChI=1S/C15H24O2/c1-3-5-6-7-9-13-14(16)10-12(8-4-2)11-15(13)17/h10-11,16-17H,3-9H2,1-2H3 | |
| Standard InChI Key: | VERGPVBZPMTZDY-UHFFFAOYSA-N | |
| SMILES: | CCCCCCc1c(O)cc(cc1O)CCC | |
Molecular propeties
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| AlogP: | 4.17 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 1 | |
| Molecular Weight: | 236.18 | |
| Topological polar surface area: | 40.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.6 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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