Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	1490
	Name:	1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 3.3'.5.5' tetramethyl bibenzyl
	Labels:
	CAS:	63376-64-7
	InChi Code:	InChI=1S/C18H22/c1-13-7-14(2)10-17(9-13)5-6-18-11-15(3)8-16(4)12-18/h7-12H,5-6H2,1-4H3

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
1.140825461	experimental value
1.2646	Tab2.Model_5: Metab. biotransf. fish (Training set)