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3-(Cyclopentyloxy)-4-methoxyphenylacetonitrile

3-(Cyclopentyloxy)-4-methoxyphenylacetonitrile - CAS 141333-36-0

Catalog:	BB009171
Product Name:	3-(Cyclopentyloxy)-4-methoxyphenylacetonitrile
CAS:	141333-36-0
Synonyms:	2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile; 2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile
Description:	3-(Cyclopentyloxy)-4-methoxyphenylacetonitrile (CAS# 141333-36-0) is a useful research chemical.
Molecular Weight:	231.29
Molecular Formula:	C14H17NO2
Canonical SMILES:	COC1=C(C=C(C=C1)CC#N)OC2CCCC2
InChI:	InChI=1S/C14H17NO2/c1-16-13-7-6-11(8-9-15)10-14(13)17-12-4-2-3-5-12/h6-7,10,12H,2-5,8H2,1H3
InChI Key:	KOIFVFCAXJUKHG-UHFFFAOYSA-N
LogP:	3.08268

Publication Number	Title	Priority Date
JP-2009215255-A	Bicyclo [3.1.0] hexane-1-carboxylic acid derivatives and their addition salts and PDE inhibitors containing them as active ingredients	20080312
JP-2005060376-A	Piperidine derivatives	20030730
WO-2004016596-A1	Condensed heterocyclic compounds as pde-iv inhibitors for the treatment of inflammatory and allergic disorders	20020819
DE-60110364-T2	Process for the preparation of 1- (cyano (aryl) methyl) cyclohexanol	20010228
EP-1238967-A1	A process for the preparation of 1-(cyano(aryl)methyl) cyclohexanol	20010228

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Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.125928785
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.125928785
Rotatable Bond Count:	4
Topological Polar Surface Area:	42.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4