4-propylphenol
- CAS:
- Other names:
- SMILES: CCCc1ccc(O)cc1
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 136.19 | 1 | 1 | 2.34 | 20.23 | 2 | 29 | 0.33 | C9H12O |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C1687 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [b-Cyclodextrin](1).[4-propylphenol] | 3.42 | 2.29 | 7.0 | 25.0 | Fluorescence spectroscopy | Koji Kano 1992 |
| [Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[4-propylphenol] | 3.53 | 2.37 | 7.0 | 25.0 | Fluorescence spectroscopy | Koji Kano 1992 |
| [Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[4-propylphenol] | 2.55 | 1.30 | 7.0 | 25.0 | Fluorescence spectroscopy | Koji Kano 1992 |