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:Tab2-13
Name:2,6-Dimethylphenol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3

Properties

E7: Redox potential [V] i

ValueSource or prediction
0.77

experimental value

0.81

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

0.77

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

Links to External Resources