2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile

C12H15NO3 — CID 66072961

IUPAC2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile
SMILESCCOC(C#N)c1cc(OC)ccc1OC
InChIInChI=1S/C12H15NO3/c1-4-16-12(8-13)10-7-9(14-2)5-6-11(10)15-3/h5-7,12H,4H2,1-3H3
InChIKeyMWDYNASQEHNRID-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.30
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile

2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile (PubChem CID 66072961) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile
PubChem CID66072961
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile
SMILESCCOC(C#N)c1cc(OC)ccc1OC
InChIInChI=1S/C12H15NO3/c1-4-16-12(8-13)10-7-9(14-2)5-6-11(10)15-3/h5-7,12H,4H2,1-3H3
InChIKeyMWDYNASQEHNRID-UHFFFAOYSA-N
XLogP2.30
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-2-(2-methoxyphenyl)acetonitrile
CID 66073171
2-ethoxy-2-(2-ethoxyphenyl)acetonitrile
CID 57193661
3-cyano-3-(2,5-dimethoxyphenyl)propanoic acid
CID 82129347
2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile
CID 84757362
1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718117
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
CID 82709740
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)butan-2-ol
CID 96603983
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
2-(2,5-dimethoxyphenyl)propanal
CID 596766
3-(4-tert-butylphenyl)-2-(2,5-dimethoxyphenyl)propanenitrile
CID 82140137

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile (CID 66072961) is 2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile is CCOC(C#N)c1cc(OC)ccc1OC.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile?
The InChIKey is MWDYNASQEHNRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-4-16-12(8-13)10-7-9(14-2)5-6-11(10)15-3/h5-7,12H,4H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile?
2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile has a molecular weight of 221.26 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile is sourced from PubChem (CID 66072961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).