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

C12H15NO2 — CID 57193661

IUPAC2-ethoxy-2-(2-ethoxyphenyl)acetonitrile
SMILESCCOc1ccccc1C(C#N)OCC
InChIInChI=1S/C12H15NO2/c1-3-14-11-8-6-5-7-10(11)12(9-13)15-4-2/h5-8,12H,3-4H2,1-2H3
InChIKeyHDGVGLVUZBTSGO-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.69
Rot. Bonds5

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

2-ethoxy-2-(2-ethoxyphenyl)acetonitrile (PubChem CID 57193661) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-ethoxy-2-(2-ethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-ethoxy-2-(2-ethoxyphenyl)acetonitrile
PubChem CID57193661
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-ethoxy-2-(2-ethoxyphenyl)acetonitrile
SMILESCCOc1ccccc1C(C#N)OCC
InChIInChI=1S/C12H15NO2/c1-3-14-11-8-6-5-7-10(11)12(9-13)15-4-2/h5-8,12H,3-4H2,1-2H3
InChIKeyHDGVGLVUZBTSGO-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-ethoxy-2-(2-methoxyphenyl)acetonitrile
CID 66073171
(2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 124630227
2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile
CID 43114978
2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile
CID 66071304
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
ethyl 2-[2-[cyano(hydroperoxy)methyl]phenoxy]acetate
CID 89328311
2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile
CID 66072961
2-ethoxy-2-(4-ethoxyphenyl)acetonitrile
CID 66072555
2-(2,5-difluorophenyl)-2-ethoxyacetonitrile
CID 66071519
2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol
CID 107140033
2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol
CID 23460388
2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine
CID 116716256

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(2-ethoxyphenyl)acetonitrile?
The IUPAC name of 2-ethoxy-2-(2-ethoxyphenyl)acetonitrile (CID 57193661) is 2-ethoxy-2-(2-ethoxyphenyl)acetonitrile.
What is the SMILES notation for 2-ethoxy-2-(2-ethoxyphenyl)acetonitrile?
The canonical SMILES for 2-ethoxy-2-(2-ethoxyphenyl)acetonitrile is CCOc1ccccc1C(C#N)OCC.
What is the InChIKey of 2-ethoxy-2-(2-ethoxyphenyl)acetonitrile?
The InChIKey is HDGVGLVUZBTSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-14-11-8-6-5-7-10(11)12(9-13)15-4-2/h5-8,12H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-2-(2-ethoxyphenyl)acetonitrile?
2-ethoxy-2-(2-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-(2-ethoxyphenyl)acetonitrile is sourced from PubChem (CID 57193661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).