2-(2,4-dimethylphenyl)-2-methoxyacetonitrile

C11H13NO — CID 66070287

IUPAC2-(2,4-dimethylphenyl)-2-methoxyacetonitrile
SMILESCOC(C#N)c1ccc(C)cc1C
InChIInChI=1S/C11H13NO/c1-8-4-5-10(9(2)6-8)11(7-12)13-3/h4-6,11H,1-3H3
InChIKeyNZGHJVJEOKXJSM-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.51
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-2-methoxyacetonitrile

2-(2,4-dimethylphenyl)-2-methoxyacetonitrile (PubChem CID 66070287) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-methoxyacetonitrile.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-methoxyacetonitrile
PubChem CID66070287
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-(2,4-dimethylphenyl)-2-methoxyacetonitrile
SMILESCOC(C#N)c1ccc(C)cc1C
InChIInChI=1S/C11H13NO/c1-8-4-5-10(9(2)6-8)11(7-12)13-3/h4-6,11H,1-3H3
InChIKeyNZGHJVJEOKXJSM-UHFFFAOYSA-N
XLogP2.51
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(2,4-dimethylphenyl)propanenitrile
CID 82503365
2-(3,4-dimethylphenyl)-2-methoxyacetonitrile
CID 66070290
1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711931
4-(2,4-dimethylphenyl)-4-hydroxybutanenitrile
CID 82075433
2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile
CID 60997224
2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile
CID 43115225
1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
2-(2-bromophenyl)-2-methoxyacetonitrile
CID 66070289
2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62585695
2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile
CID 116834301
2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile
CID 66070706
2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile
CID 43803033

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-methoxyacetonitrile?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-methoxyacetonitrile (CID 66070287) is 2-(2,4-dimethylphenyl)-2-methoxyacetonitrile.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-methoxyacetonitrile?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-methoxyacetonitrile is COC(C#N)c1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-methoxyacetonitrile?
The InChIKey is NZGHJVJEOKXJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-4-5-10(9(2)6-8)11(7-12)13-3/h4-6,11H,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-2-methoxyacetonitrile?
2-(2,4-dimethylphenyl)-2-methoxyacetonitrile has a molecular weight of 175.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-methoxyacetonitrile is sourced from PubChem (CID 66070287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).