4-Methoxy-α-(4-methoxyphenyl)benzenepropanenitrile - CAS 72035-46-2

Name: 4-Methoxy-α-(4-methoxyphenyl)benzenepropanenitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB058941
Product Name:	4-Methoxy-α-(4-methoxyphenyl)benzenepropanenitrile
CAS:	72035-46-2
Synonyms:	NSC 247874NSC 295764

Technical Data

IUPAC Name:	2,3-bis(4-methoxyphenyl)propanenitrile
Description:	4-Methoxy-α-(4-methoxyphenyl)benzenepropanenitrile is an intermediate in the synthesis of 2,3-Bis(4-hydroxyphenyl)propionitrile (B447370), which is an estrogen receptor β and α specific with pro- and anti-nociceptive actions in mice.
Molecular Weight:	267.32
Molecular Formula:	C17H17NO2
Canonical SMILES:	COC1=CC=C(C=C1)CC(C#N)C2=CC=C(C=C2)OC
InChI:	InChI=1S/C17H17NO2/c1-19-16-7-3-13(4-8-16)11-15(12-18)14-5-9-17(20-2)10-6-14/h3-10,15H,11H2,1-2H3
InChI Key:	WXTLYNYQEYBSHU-UHFFFAOYSA-N
References:	Coulombe, M. et al. Neurosci., 184, 172 (2011).

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3509583-A1	Estrogen receptor ligands, compositions and methods related thereto	20160909
US-2019192476-A1	Estrogen receptor ligands, compositions and methods related thereto	20160909
WO-2018049094-A1	Estrogen receptor ligands, compositions and methods related thereto	20160909
US-10980767-B2	Estrogen receptor ligands, compositions and methods related thereto	20160909
EP-3509583-B1	Estrogen receptor ligands, compositions and methods related thereto	20160909
US-2021196667-A1	Estrogen receptor ligands, compositions and methods related thereto	20160909
EP-3939581-A1	Estrogen receptor ligands, compositions and methods related thereto	20160909
KR-20050096063-A	Novel acryl derivative having strong inhibiting activity against sortase enzyme and the pharmaceutical composition comprising the same	20040329
JP-H06321885-A	Optically active compound having cyano group	19930512
US-3123615-A	Oxyphenyl

Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	267.125928785
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	267.125928785
Rotatable Bond Count:	5
Topological Polar Surface Area:	42.2Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5