4-(cyclopentylmethoxymethyl)benzonitrile

C14H17NO — CID 66323484

IUPAC4-(cyclopentylmethoxymethyl)benzonitrile
SMILESN#Cc1ccc(COCC2CCCC2)cc1
InChIInChI=1S/C14H17NO/c15-9-12-5-7-14(8-6-12)11-16-10-13-3-1-2-4-13/h5-8,13H,1-4,10-11H2
InChIKeyLFUBOVUWYJTOQX-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.27
Rot. Bonds4

About 4-(cyclopentylmethoxymethyl)benzonitrile

4-(cyclopentylmethoxymethyl)benzonitrile (PubChem CID 66323484) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(cyclopentylmethoxymethyl)benzonitrile.

Molecular Properties

Compound Name4-(cyclopentylmethoxymethyl)benzonitrile
PubChem CID66323484
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-(cyclopentylmethoxymethyl)benzonitrile
SMILESN#Cc1ccc(COCC2CCCC2)cc1
InChIInChI=1S/C14H17NO/c15-9-12-5-7-14(8-6-12)11-16-10-13-3-1-2-4-13/h5-8,13H,1-4,10-11H2
InChIKeyLFUBOVUWYJTOQX-UHFFFAOYSA-N
XLogP3.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride
CID 142630227
(4-cyanophenyl)methyl 2-cyclopentylacetate
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4-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24707627
4-[3-(cyclohexylmethoxy)propoxy]benzonitrile
CID 62381881
4-[4-(cyclopentylmethoxy)phenyl]benzonitrile
CID 10039177
1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene
CID 125465491
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide
CID 68767831
N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide
CID 62268773
4-(pentoxymethyl)benzonitrile
CID 43275136
4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile
CID 163271987
4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methoxymethyl]benzonitrile;oxalic acid
CID 71784998

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxymethyl)benzonitrile?
The IUPAC name of 4-(cyclopentylmethoxymethyl)benzonitrile (CID 66323484) is 4-(cyclopentylmethoxymethyl)benzonitrile.
What is the SMILES notation for 4-(cyclopentylmethoxymethyl)benzonitrile?
The canonical SMILES for 4-(cyclopentylmethoxymethyl)benzonitrile is N#Cc1ccc(COCC2CCCC2)cc1.
What is the InChIKey of 4-(cyclopentylmethoxymethyl)benzonitrile?
The InChIKey is LFUBOVUWYJTOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c15-9-12-5-7-14(8-6-12)11-16-10-13-3-1-2-4-13/h5-8,13H,1-4,10-11H2.
What are the key properties of 4-(cyclopentylmethoxymethyl)benzonitrile?
4-(cyclopentylmethoxymethyl)benzonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxymethyl)benzonitrile is sourced from PubChem (CID 66323484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).