2-Tert-Butylphenol
Representations & DB's id
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| ChEBI: | CHEBI:34305 | |
|---|---|---|
| ChEMBL: | CHEMBL108851 | |
| PubChem: | 6923 | |
| IUPAC: | 2-tert-butylphenol | |
| Standard InChI: | InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3 | |
| Standard InChI Key: | WJQOZHYUIDYNHM-UHFFFAOYSA-N | |
| SMILES: | Oc1ccccc1C(C)(C)C | |
Molecular propeties
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| AlogP: | 2.69 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 1 | |
| Molecular Weight: | 150.1 | |
| Topological polar surface area: | 20.2 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 10 | |