2,4-Ditert-Butylphenol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL29873 | |
| PubChem: | 7311 | |
| IUPAC: | 2,4-ditert-butylphenol | |
| Standard InChI: | InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3 | |
| Standard InChI Key: | ICKWICRCANNIBI-UHFFFAOYSA-N | |
| SMILES: | Oc1ccc(cc1C(C)(C)C)C(C)(C)C | |
Molecular propeties
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| AlogP: | 3.99 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 1 | |
| Molecular Weight: | 206.17 | |
| Topological polar surface area: | 20.2 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.571 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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