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

Properties

E7: Redox potential [V] i

ValueSource or prediction
0.84

experimental value

0.91

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

0.89

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

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