2-ethoxy-2-(2-methoxyphenyl)acetonitrile

C11H13NO2 — CID 66073171

IUPAC2-ethoxy-2-(2-methoxyphenyl)acetonitrile
SMILESCCOC(C#N)c1ccccc1OC
InChIInChI=1S/C11H13NO2/c1-3-14-11(8-12)9-6-4-5-7-10(9)13-2/h4-7,11H,3H2,1-2H3
InChIKeyXBQXUKZOYMQPBB-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.30
Rot. Bonds4

About 2-ethoxy-2-(2-methoxyphenyl)acetonitrile

2-ethoxy-2-(2-methoxyphenyl)acetonitrile (PubChem CID 66073171) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-ethoxy-2-(2-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-ethoxy-2-(2-methoxyphenyl)acetonitrile
PubChem CID66073171
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-ethoxy-2-(2-methoxyphenyl)acetonitrile
SMILESCCOC(C#N)c1ccccc1OC
InChIInChI=1S/C11H13NO2/c1-3-14-11(8-12)9-6-4-5-7-10(9)13-2/h4-7,11H,3H2,1-2H3
InChIKeyXBQXUKZOYMQPBB-UHFFFAOYSA-N
XLogP2.30
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-2-(2-ethoxyphenyl)acetonitrile
CID 57193661
2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile
CID 66072961
1-(1-ethoxyethyl)-2-methoxybenzene
CID 141024824
2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile
CID 66071304
(2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 124630227
ethyl 2-cyano-2-(2-methoxyphenyl)acetate
CID 13432076
[cyano-(2-methoxyphenyl)methyl] 2-methylbenzoate
CID 135018920
3-amino-2-(2-methoxyphenyl)propanenitrile
CID 82503443
2-(2,5-difluorophenyl)-2-ethoxyacetonitrile
CID 66071519
N-[cyano-(2-methoxyphenyl)methyl]propane-1-sulfonamide
CID 112511056
ethyl 3-cyano-3-(2-methoxyphenyl)propanoate
CID 112508157
2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine
CID 79496366

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(2-methoxyphenyl)acetonitrile?
The IUPAC name of 2-ethoxy-2-(2-methoxyphenyl)acetonitrile (CID 66073171) is 2-ethoxy-2-(2-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-ethoxy-2-(2-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-ethoxy-2-(2-methoxyphenyl)acetonitrile is CCOC(C#N)c1ccccc1OC.
What is the InChIKey of 2-ethoxy-2-(2-methoxyphenyl)acetonitrile?
The InChIKey is XBQXUKZOYMQPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-14-11(8-12)9-6-4-5-7-10(9)13-2/h4-7,11H,3H2,1-2H3.
What are the key properties of 2-ethoxy-2-(2-methoxyphenyl)acetonitrile?
2-ethoxy-2-(2-methoxyphenyl)acetonitrile has a molecular weight of 191.23 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(2-methoxyphenyl)acetonitrile is sourced from PubChem (CID 66073171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).