2-Tert-Butyl-6-[(3-Tert-Butyl-5-Ethyl-2-Hydroxyphenyl)Methyl]-4-Ethylphenol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3182523 | |
| PubChem: | 6928 | |
| IUPAC: | 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol | |
| Standard InChI: | InChI=1S/C25H36O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h11-14,26-27H,9-10,15H2,1-8H3 | |
| Standard InChI Key: | GPNYZBKIGXGYNU-UHFFFAOYSA-N | |
| SMILES: | CCc1cc(Cc2cc(CC)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O | |
Molecular propeties
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| AlogP: | 6.41 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 368.27 | |
| Topological polar surface area: | 40.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.52 | |
| Number of carbons: | 25 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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