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:Tab3-19
Name:2,2-dimethyl-4,6-diisopropyl-3H-1-benzofuran-5-ol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C16H24O2/c1-9(2)11-7-13-12(8-16(5,6)18-13)14(10(3)4)15(11)17/h7,9-10,17H,8H2,1-6H3

Properties

Log(ksx10^3): Logarithm of second-order rate constant [Log(M-1 S-1)] i

ValueSource or prediction
0.73

experimental value

0.5

Eq12: Model for vitamin E derivatives (Training set)