2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile

C12H15NO2 — CID 66070895

IUPAC2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile
SMILESCCOC(C#N)c1cccc(COC)c1
InChIInChI=1S/C12H15NO2/c1-3-15-12(8-13)11-6-4-5-10(7-11)9-14-2/h4-7,12H,3,9H2,1-2H3
InChIKeyHUFKRUIZHCQRJX-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.43
Rot. Bonds5

About 2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile

2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile (PubChem CID 66070895) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile
PubChem CID66070895
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile
SMILESCCOC(C#N)c1cccc(COC)c1
InChIInChI=1S/C12H15NO2/c1-3-15-12(8-13)11-6-4-5-10(7-11)9-14-2/h4-7,12H,3,9H2,1-2H3
InChIKeyHUFKRUIZHCQRJX-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxyethyl)-3-(methoxymethyl)benzene
CID 19879643
1-(1-bromoethyl)-3-(methoxymethyl)benzene
CID 174626315
(2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile
CID 174633888
1-[3-(methoxymethyl)phenyl]-2-methylbutan-1-ol
CID 79446126
2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine
CID 80605254
2-[(2,6-dimethylphenoxy)methoxy]-2-[4-(methoxymethyl)phenyl]acetonitrile
CID 66940165
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol
CID 82928186
2-ethoxy-2-(4-ethoxyphenyl)acetonitrile
CID 66072555
3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile
CID 62779379
2-ethoxy-2-(2-methoxyphenyl)acetonitrile
CID 66073171
(2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile
CID 94037815

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile?
The IUPAC name of 2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile (CID 66070895) is 2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile?
The canonical SMILES for 2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile is CCOC(C#N)c1cccc(COC)c1.
What is the InChIKey of 2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile?
The InChIKey is HUFKRUIZHCQRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-15-12(8-13)11-6-4-5-10(7-11)9-14-2/h4-7,12H,3,9H2,1-2H3.
What are the key properties of 2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile?
2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile has a molecular weight of 205.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile is sourced from PubChem (CID 66070895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).