2-ethoxy-2-(4-ethoxyphenyl)acetonitrile

C12H15NO2 — CID 66072555

IUPAC2-ethoxy-2-(4-ethoxyphenyl)acetonitrile
SMILESCCOc1ccc(C(C#N)OCC)cc1
InChIInChI=1S/C12H15NO2/c1-3-14-11-7-5-10(6-8-11)12(9-13)15-4-2/h5-8,12H,3-4H2,1-2H3
InChIKeySDZDSUAHGMWMEI-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.69
Rot. Bonds5

About 2-ethoxy-2-(4-ethoxyphenyl)acetonitrile

2-ethoxy-2-(4-ethoxyphenyl)acetonitrile (PubChem CID 66072555) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-ethoxy-2-(4-ethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-ethoxy-2-(4-ethoxyphenyl)acetonitrile
PubChem CID66072555
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-ethoxy-2-(4-ethoxyphenyl)acetonitrile
SMILESCCOc1ccc(C(C#N)OCC)cc1
InChIInChI=1S/C12H15NO2/c1-3-14-11-7-5-10(6-8-11)12(9-13)15-4-2/h5-8,12H,3-4H2,1-2H3
InChIKeySDZDSUAHGMWMEI-UHFFFAOYSA-N
XLogP2.69
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile
CID 115525696
(2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile
CID 174633884
2-bromo-2-(4-ethoxyphenyl)acetonitrile
CID 83086822
2-(4-ethoxyphenyl)-3-methylpentanenitrile
CID 79445729
2-cyano-2-(4-ethoxyphenyl)acetic acid
CID 63272630
(3S)-3-amino-3-(4-ethoxyphenyl)propanenitrile
CID 95436607
2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile
CID 66072961
(2S)-2-[(2S)-2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]-2-(3-phenoxyphenyl)acetonitrile
CID 67877867
2-(butylamino)-2-(4-ethoxyphenyl)acetonitrile
CID 82019956
1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene
CID 130239212
4-amino-4-(4-ethoxyphenyl)butanenitrile
CID 116939991
1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile
CID 79130086

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(4-ethoxyphenyl)acetonitrile?
The IUPAC name of 2-ethoxy-2-(4-ethoxyphenyl)acetonitrile (CID 66072555) is 2-ethoxy-2-(4-ethoxyphenyl)acetonitrile.
What is the SMILES notation for 2-ethoxy-2-(4-ethoxyphenyl)acetonitrile?
The canonical SMILES for 2-ethoxy-2-(4-ethoxyphenyl)acetonitrile is CCOc1ccc(C(C#N)OCC)cc1.
What is the InChIKey of 2-ethoxy-2-(4-ethoxyphenyl)acetonitrile?
The InChIKey is SDZDSUAHGMWMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-14-11-7-5-10(6-8-11)12(9-13)15-4-2/h5-8,12H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-2-(4-ethoxyphenyl)acetonitrile?
2-ethoxy-2-(4-ethoxyphenyl)acetonitrile has a molecular weight of 205.26 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(4-ethoxyphenyl)acetonitrile is sourced from PubChem (CID 66072555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).