4'-(Trifluoromethyl)biphenyl-4-methanol - CAS 457889-46-2

Catalog:	BB025979
Product Name:	4'-(Trifluoromethyl)biphenyl-4-methanol
CAS:	457889-46-2
Synonyms:	[4-[4-(trifluoromethyl)phenyl]phenyl]methanol; [4-[4-(trifluoromethyl)phenyl]phenyl]methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	[4-[4-(trifluoromethyl)phenyl]phenyl]methanol
Description:	4'-(Trifluoromethyl)biphenyl-4-methanol (CAS# 457889-46-2 ) is a useful research chemical.
Molecular Weight:	252.23
Molecular Formula:	C14H11F3O
Canonical SMILES:	C1=CC(=CC=C1CO)C2=CC=C(C=C2)C(F)(F)F
InChI:	InChI=1S/C14H11F3O/c15-14(16,17)13-7-5-12(6-8-13)11-3-1-10(9-18)2-4-11/h1-8,18H,9H2
InChI Key:	YCVFDTRUBSFXSA-UHFFFAOYSA-N
Boiling Point:	332.18 °C at 760 mmHg
Density:	1.248 g/cm³
LogP:	3.86470

Publication Number	Title	Priority Date
WO-2019104011-A1	Ceramide galactosyltransferase inhibitors for the treatment of disease	20171121
WO-2019063634-A1	DARAPLADIB RADIOMARQUÃ‰, ITS ANALOGUES AND THEIR USE AS IMAGING COMPOUNDS	20170926
US-2020276337-A1	Radiolabeled darapladib and analogs thereof and their use as imaging compounds	20170926
AU-2012340519-A1	Disubstituted beta-lactones as inhibitors of N-acylethanolamine acid amidase (NAAA)	20111122
AU-2012340519-B2	Disubstituted beta-lactones as inhibitors of N-acylethanolamine acid amidase (NAAA)	20111122

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Complexity:	248
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.07619946
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	252.07619946
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5