2-[2-(oxolan-2-yl)ethoxy]benzonitrile

C13H15NO2 — CID 65161585

IUPAC2-[2-(oxolan-2-yl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCC1CCCO1
InChIInChI=1S/C13H15NO2/c14-10-11-4-1-2-6-13(11)16-9-7-12-5-3-8-15-12/h1-2,4,6,12H,3,5,7-9H2
InChIKeyCYFGBBVKLKUXSV-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.51
Rot. Bonds4

About 2-[2-(oxolan-2-yl)ethoxy]benzonitrile

2-[2-(oxolan-2-yl)ethoxy]benzonitrile (PubChem CID 65161585) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)ethoxy]benzonitrile
PubChem CID65161585
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-[2-(oxolan-2-yl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCC1CCCO1
InChIInChI=1S/C13H15NO2/c14-10-11-4-1-2-6-13(11)16-9-7-12-5-3-8-15-12/h1-2,4,6,12H,3,5,7-9H2
InChIKeyCYFGBBVKLKUXSV-UHFFFAOYSA-N
XLogP2.51
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(oxolan-2-yl)ethoxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 65164533
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321
2-[2-hydroxy-3-[2-(oxolan-2-yl)ethylamino]propoxy]benzonitrile
CID 61039506
3-amino-4-[2-(oxolan-2-yl)ethoxy]benzonitrile
CID 65158672
(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158891
1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158484
2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethoxy]benzonitrile
CID 51165264
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(2-cyanophenoxy)acetate
CID 2372728
2-(morpholin-2-ylmethoxy)benzonitrile
CID 64534469
6-fluoro-3-[2-(oxan-2-yl)ethoxy]pyridine-2-carbonitrile
CID 167794748
2-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24702281
2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107014133

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(oxolan-2-yl)ethoxy]benzonitrile (CID 65161585) is 2-[2-(oxolan-2-yl)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(oxolan-2-yl)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(oxolan-2-yl)ethoxy]benzonitrile is N#Cc1ccccc1OCCC1CCCO1.
What is the InChIKey of 2-[2-(oxolan-2-yl)ethoxy]benzonitrile?
The InChIKey is CYFGBBVKLKUXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c14-10-11-4-1-2-6-13(11)16-9-7-12-5-3-8-15-12/h1-2,4,6,12H,3,5,7-9H2.
What are the key properties of 2-[2-(oxolan-2-yl)ethoxy]benzonitrile?
2-[2-(oxolan-2-yl)ethoxy]benzonitrile has a molecular weight of 217.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-yl)ethoxy]benzonitrile is sourced from PubChem (CID 65161585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).