(4- Hydroxyphenyl) (4- (prop- 2- yn- 1- yloxy) phenyl) methanone - CAS 1208395-99-6

Catalog:	BB060821
Product Name:	(4- Hydroxyphenyl) (4- (prop- 2- yn- 1- yloxy) phenyl) methanone
CAS:	1208395-99-6
Synonyms:	(4-Hydroxyphenyl)[4-(2-propyn-1-yloxy)phenyl]methanone;(4-Hydroxyphenyl)[4-(prop-2-yn-1-yloxy)phenyl]methanone

Technical Data

IUPAC Name:	(4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone
Description:	(4- Hydroxyphenyl) (4- (prop- 2- yn- 1- yloxy) phenyl) methanone is a reactant used in the synthesis of clickable photoaffinity photoprobes which act as ligands, as allosteric modulators, for G-protein coupled receptors, specifically glutamate receptor 5.
Molecular Weight:	252.26
Molecular Formula:	C16H12O3
Canonical SMILES:	C#CCOC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)O
InChI:	InChI=1S/C16H12O3/c1-2-11-19-15-9-5-13(6-10-15)16(18)12-3-7-14(17)8-4-12/h1,3-10,17H,11H2
InChI Key:	TZKIHDJSIXVMIQ-UHFFFAOYSA-N
References:	Gregory, K. et al. ACS Chem. Biol., 11, 1870 (2016).

Complexity:	338
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.078644241
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	252.078644241
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3