3-(Benzyloxy)-4-methoxybenzonitrile - CAS 52805-37-5

Catalog:	BB027953
Product Name:	3-(Benzyloxy)-4-methoxybenzonitrile
CAS:	52805-37-5
Synonyms:	4-methoxy-3-phenylmethoxybenzonitrile; 4-methoxy-3-phenylmethoxybenzonitrile

Technical Data

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Computed Properties

IUPAC Name:	4-methoxy-3-phenylmethoxybenzonitrile
Description:	3-(Benzyloxy)-4-methoxybenzonitrile (CAS# 52805-37-5) is a useful research chemical.
Molecular Weight:	239.27
Molecular Formula:	C15H13NO2
Canonical SMILES:	COC1=C(C=C(C=C1)C#N)OCC2=CC=CC=C2
InChI:	InChI=1S/C15H13NO2/c1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12/h2-9H,11H2,1H3
InChI Key:	DTALPOKFNPTJSF-UHFFFAOYSA-N
LogP:	3.14588

Publication Number	Title	Priority Date
TW-201934122-A	Quinazolinamine derivatives and pharmaceutical compositions and uses thereof	20180209
TW-I660728-B	Quinazolinamine derivatives and pharmaceutical compositions and uses thereof	20180209
US-10251886-B1	4-anilinoquinazoline derivative and albumin conjugates thereof	20180209
AU-2014389984-A1	Process of preparing a quinazoline derivative	20140610
CA-2914990-A1	Process of preparing a quinazoline derivative	20140610

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Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.094628657
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.094628657
Rotatable Bond Count:	4
Topological Polar Surface Area:	42.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1