10967/165 - QDB Compounds

QsarDB Repository

Lien, E. J.; Ren, S.; Bui, H.-H.; Wang, R. Quantitative structure-activity relationship analysis of phenolic antioxidants. Free Radic. Biol. Med. 1999, 26, 285–294.

Compound

ID:Tab2-11
Name:4-tert-Butylphenol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3

Properties

E7: Redox potential [V] i

ValueSource or prediction
0.8

experimental value

0.84

Eq4: Model for phenoxyl radicals with 3 descriptors (Validation set)

0.84

Eq6: Model for phenoxyl radicals with 4 descriptors (Validation set)

Links to External Resources