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:	1790
	Name:	4-(4-hydroxyphenoxy)phenol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 4,4'-Dihydroxydiphenyl ether
	Labels:
	CAS:	1965-09-9
	InChi Code:	InChI=1S/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H

Properties

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

Value	Source or prediction
4.54	experimental value
4.5428	Tab2.Model_1: P. promelas LC50 (Training set)