2-(oxolan-2-ylmethoxymethyl)benzonitrile

C13H15NO2 — CID 24702281

IUPAC2-(oxolan-2-ylmethoxymethyl)benzonitrile
SMILESN#Cc1ccccc1COCC1CCCO1
InChIInChI=1S/C13H15NO2/c14-8-11-4-1-2-5-12(11)9-15-10-13-6-3-7-16-13/h1-2,4-5,13H,3,6-7,9-10H2
InChIKeyPQGNNPIMFXSPAR-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.25
Rot. Bonds4

About 2-(oxolan-2-ylmethoxymethyl)benzonitrile

2-(oxolan-2-ylmethoxymethyl)benzonitrile (PubChem CID 24702281) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxymethyl)benzonitrile.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxymethyl)benzonitrile
PubChem CID24702281
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(oxolan-2-ylmethoxymethyl)benzonitrile
SMILESN#Cc1ccccc1COCC1CCCO1
InChIInChI=1S/C13H15NO2/c14-8-11-4-1-2-5-12(11)9-15-10-13-6-3-7-16-13/h1-2,4-5,13H,3,6-7,9-10H2
InChIKeyPQGNNPIMFXSPAR-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-oxolan-2-yl]methoxymethyl]benzenethiol
CID 97294081
3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile
CID 62920439
4-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24707627
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321
2-[2-(oxolan-2-yl)ethoxy]benzonitrile
CID 65161585
2-(cycloheptyloxymethyl)benzonitrile
CID 61069550
N-methyl-2-nitro-6-(oxolan-2-ylmethoxymethyl)aniline
CID 107352196
2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile
CID 107118745
[3-(oxolan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62444972
2-nitro-6-(oxan-2-ylmethoxymethyl)aniline
CID 107352211
N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 55077796
[3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine
CID 62895887

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethoxymethyl)benzonitrile?
The IUPAC name of 2-(oxolan-2-ylmethoxymethyl)benzonitrile (CID 24702281) is 2-(oxolan-2-ylmethoxymethyl)benzonitrile.
What is the SMILES notation for 2-(oxolan-2-ylmethoxymethyl)benzonitrile?
The canonical SMILES for 2-(oxolan-2-ylmethoxymethyl)benzonitrile is N#Cc1ccccc1COCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethoxymethyl)benzonitrile?
The InChIKey is PQGNNPIMFXSPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c14-8-11-4-1-2-5-12(11)9-15-10-13-6-3-7-16-13/h1-2,4-5,13H,3,6-7,9-10H2.
What are the key properties of 2-(oxolan-2-ylmethoxymethyl)benzonitrile?
2-(oxolan-2-ylmethoxymethyl)benzonitrile has a molecular weight of 217.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxymethyl)benzonitrile is sourced from PubChem (CID 24702281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).