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:Tab3-16
Name:2,2,4,6-Tetramethyl-3H-1-benzofuran-5-ol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H16O2/c1-7-5-10-9(8(2)11(7)13)6-12(3,4)14-10/h5,13H,6H2,1-4H3

Properties

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

ValueSource or prediction
0.54

experimental value

0.35

Eq12: Model for vitamin E derivatives (Training set)