2-[4-(2-methoxyethyl)phenoxy]acetonitrile

C11H13NO2 — CID 43237929

IUPAC2-[4-(2-methoxyethyl)phenoxy]acetonitrile
SMILESCOCCc1ccc(OCC#N)cc1
InChIInChI=1S/C11H13NO2/c1-13-8-6-10-2-4-11(5-3-10)14-9-7-12/h2-5H,6,8-9H2,1H3
InChIKeyXOAIMZJFXISLKK-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.78
Rot. Bonds5

About 2-[4-(2-methoxyethyl)phenoxy]acetonitrile

2-[4-(2-methoxyethyl)phenoxy]acetonitrile (PubChem CID 43237929) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)phenoxy]acetonitrile
PubChem CID43237929
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-[4-(2-methoxyethyl)phenoxy]acetonitrile
SMILESCOCCc1ccc(OCC#N)cc1
InChIInChI=1S/C11H13NO2/c1-13-8-6-10-2-4-11(5-3-10)14-9-7-12/h2-5H,6,8-9H2,1H3
InChIKeyXOAIMZJFXISLKK-UHFFFAOYSA-N
XLogP1.78
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-methoxyethoxy)phenyl]propanenitrile
CID 98014003
6-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106710432
2-[4-(chloromethyl)phenoxy]acetonitrile
CID 23514379
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbonitrile
CID 43244931
2-[4-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]phenoxy]acetonitrile
CID 106249817
2-[4-[(4-propylanilino)methyl]phenoxy]acetonitrile
CID 43769041
2-[4-(2-methoxyethyl)phenoxy]ethanethioamide
CID 43352082
N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 30873501
1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene
CID 79403925
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]propan-2-amine
CID 14694037
2-[4-[(prop-2-ynylamino)methyl]phenoxy]acetonitrile
CID 43221239
4-[4-(2-methoxyethyl)phenoxy]butanoic acid
CID 43169586

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)phenoxy]acetonitrile?
The IUPAC name of 2-[4-(2-methoxyethyl)phenoxy]acetonitrile (CID 43237929) is 2-[4-(2-methoxyethyl)phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-(2-methoxyethyl)phenoxy]acetonitrile?
The canonical SMILES for 2-[4-(2-methoxyethyl)phenoxy]acetonitrile is COCCc1ccc(OCC#N)cc1.
What is the InChIKey of 2-[4-(2-methoxyethyl)phenoxy]acetonitrile?
The InChIKey is XOAIMZJFXISLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-13-8-6-10-2-4-11(5-3-10)14-9-7-12/h2-5H,6,8-9H2,1H3.
What are the key properties of 2-[4-(2-methoxyethyl)phenoxy]acetonitrile?
2-[4-(2-methoxyethyl)phenoxy]acetonitrile has a molecular weight of 191.23 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)phenoxy]acetonitrile is sourced from PubChem (CID 43237929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).