2-(2-ethylphenoxy)acetonitrile

C10H11NO — CID 22688439

IUPAC2-(2-ethylphenoxy)acetonitrile
SMILESCCc1ccccc1OCC#N
InChIInChI=1S/C10H11NO/c1-2-9-5-3-4-6-10(9)12-8-7-11/h3-6H,2,8H2,1H3
InChIKeyQHIPKVPSPJXPFG-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.15
Rot. Bonds3

About 2-(2-ethylphenoxy)acetonitrile

2-(2-ethylphenoxy)acetonitrile (PubChem CID 22688439) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)acetonitrile.

Molecular Properties

Compound Name2-(2-ethylphenoxy)acetonitrile
PubChem CID22688439
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-(2-ethylphenoxy)acetonitrile
SMILESCCc1ccccc1OCC#N
InChIInChI=1S/C10H11NO/c1-2-9-5-3-4-6-10(9)12-8-7-11/h3-6H,2,8H2,1H3
InChIKeyQHIPKVPSPJXPFG-UHFFFAOYSA-N
XLogP2.15
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(cyanomethoxy)phenyl]acetonitrile
CID 55267337
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
2-[2-(2-aminopropyl)phenoxy]acetonitrile
CID 60907829
1-ethyl-2-(3-phenylprop-2-ynoxy)benzene
CID 64765483
2-(8-ethylquinolin-4-yl)oxyacetonitrile
CID 54772736
4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile
CID 65251986
2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide
CID 43221379
2-(cyanomethoxy)benzonitrile
CID 4156437
2-[2-[(3,5-dimethylanilino)methyl]phenoxy]acetonitrile
CID 43763950
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
2-naphthalen-1-yloxyacetonitrile
CID 4123375
3-(2-ethoxyphenyl)propanenitrile
CID 53434291

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)acetonitrile?
The IUPAC name of 2-(2-ethylphenoxy)acetonitrile (CID 22688439) is 2-(2-ethylphenoxy)acetonitrile.
What is the SMILES notation for 2-(2-ethylphenoxy)acetonitrile?
The canonical SMILES for 2-(2-ethylphenoxy)acetonitrile is CCc1ccccc1OCC#N.
What is the InChIKey of 2-(2-ethylphenoxy)acetonitrile?
The InChIKey is QHIPKVPSPJXPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-9-5-3-4-6-10(9)12-8-7-11/h3-6H,2,8H2,1H3.
What are the key properties of 2-(2-ethylphenoxy)acetonitrile?
2-(2-ethylphenoxy)acetonitrile has a molecular weight of 161.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)acetonitrile is sourced from PubChem (CID 22688439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).