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:	290
	Name:	4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenol. 4.4 -(1-methylethylidene)bis-
	Labels:
	CAS:	80-05-7
	InChi Code:	InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3

Properties

M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)

Value	Source or prediction
-2.11	experimental value
-1.3585	Tab2.Model_4: EDC estrogen receptor binding (Training set)

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
0.270825461	experimental value
-0.1115	Tab2.Model_5: Metab. biotransf. fish (Training set)