2-cyclopentyloxy-3,4-dimethoxybenzonitrile

C14H17NO3 — CID 18470646

IUPAC2-cyclopentyloxy-3,4-dimethoxybenzonitrile
SMILESCOc1ccc(C#N)c(OC2CCCC2)c1OC
InChIInChI=1S/C14H17NO3/c1-16-12-8-7-10(9-15)13(14(12)17-2)18-11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3
InChIKeyKADRHQQOARAKIY-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.90
Rot. Bonds4

About 2-cyclopentyloxy-3,4-dimethoxybenzonitrile

2-cyclopentyloxy-3,4-dimethoxybenzonitrile (PubChem CID 18470646) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-cyclopentyloxy-3,4-dimethoxybenzonitrile.

Molecular Properties

Compound Name2-cyclopentyloxy-3,4-dimethoxybenzonitrile
PubChem CID18470646
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-cyclopentyloxy-3,4-dimethoxybenzonitrile
SMILESCOc1ccc(C#N)c(OC2CCCC2)c1OC
InChIInChI=1S/C14H17NO3/c1-16-12-8-7-10(9-15)13(14(12)17-2)18-11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3
InChIKeyKADRHQQOARAKIY-UHFFFAOYSA-N
XLogP2.90
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyloxy-3-methoxybenzonitrile
CID 117309455
3-methoxy-2-(oxan-4-yloxy)benzonitrile
CID 117338061
6-amino-2-cyclobutyloxy-3,4-dimethoxybenzonitrile
CID 18470654
3-methoxy-2-(thian-3-yloxy)benzonitrile
CID 117376744
2-cyclobutyloxy-3,4-dimethoxy-6-nitrobenzonitrile
CID 18470632
2-chloro-4-cyclohexyloxy-3-methylbenzonitrile
CID 166111908
5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116
3-methoxy-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile
CID 117052872
3-chloro-2-cycloheptyloxybenzonitrile
CID 91061195
3-cyclopentyloxy-2-fluoro-4-methoxyphenol
CID 125116751
2-bromo-5-cyclobutyloxy-4-methoxybenzonitrile
CID 117453047
(Z)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 67598126

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-3,4-dimethoxybenzonitrile?
The IUPAC name of 2-cyclopentyloxy-3,4-dimethoxybenzonitrile (CID 18470646) is 2-cyclopentyloxy-3,4-dimethoxybenzonitrile.
What is the SMILES notation for 2-cyclopentyloxy-3,4-dimethoxybenzonitrile?
The canonical SMILES for 2-cyclopentyloxy-3,4-dimethoxybenzonitrile is COc1ccc(C#N)c(OC2CCCC2)c1OC.
What is the InChIKey of 2-cyclopentyloxy-3,4-dimethoxybenzonitrile?
The InChIKey is KADRHQQOARAKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-16-12-8-7-10(9-15)13(14(12)17-2)18-11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-cyclopentyloxy-3,4-dimethoxybenzonitrile?
2-cyclopentyloxy-3,4-dimethoxybenzonitrile has a molecular weight of 247.29 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-3,4-dimethoxybenzonitrile is sourced from PubChem (CID 18470646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).