3-(4-methoxyphenoxy)-2-methylpropanenitrile

C11H13NO2 — CID 43367443

IUPAC3-(4-methoxyphenoxy)-2-methylpropanenitrile
SMILESCOc1ccc(OCC(C)C#N)cc1
InChIInChI=1S/C11H13NO2/c1-9(7-12)8-14-11-5-3-10(13-2)4-6-11/h3-6,9H,8H2,1-2H3
InChIKeyPYMNLWLLUJEVSJ-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.23
Rot. Bonds4

About 3-(4-methoxyphenoxy)-2-methylpropanenitrile

3-(4-methoxyphenoxy)-2-methylpropanenitrile (PubChem CID 43367443) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-2-methylpropanenitrile
PubChem CID43367443
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(4-methoxyphenoxy)-2-methylpropanenitrile
SMILESCOc1ccc(OCC(C)C#N)cc1
InChIInChI=1S/C11H13NO2/c1-9(7-12)8-14-11-5-3-10(13-2)4-6-11/h3-6,9H,8H2,1-2H3
InChIKeyPYMNLWLLUJEVSJ-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanenitrile
CID 43367422
(2S)-1-(4-methoxyphenoxy)propan-2-amine
CID 7263362
2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile
CID 43367430
3-(1,3-benzodioxol-5-yloxy)-2-methylpropanenitrile
CID 43174885
3-(3-aminophenoxy)-2-methylpropanenitrile
CID 61036010
1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
CID 163393243
3-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]-2-methylpropanenitrile
CID 55016102
2-[4-(methoxymethoxy)phenyl]-3-(4-methoxyphenyl)butanedinitrile
CID 67215235
4-methoxy(13C)benzonitrile
CID 175991125
3-methoxy-5-(2-methylpropoxy)benzonitrile
CID 103566832
3-(2,6-dibromophenoxy)-2-methylpropanenitrile
CID 43367465
2-methyl-3-(3-methylsulfonylphenoxy)propanenitrile
CID 43806985

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-2-methylpropanenitrile?
The IUPAC name of 3-(4-methoxyphenoxy)-2-methylpropanenitrile (CID 43367443) is 3-(4-methoxyphenoxy)-2-methylpropanenitrile.
What is the SMILES notation for 3-(4-methoxyphenoxy)-2-methylpropanenitrile?
The canonical SMILES for 3-(4-methoxyphenoxy)-2-methylpropanenitrile is COc1ccc(OCC(C)C#N)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-2-methylpropanenitrile?
The InChIKey is PYMNLWLLUJEVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9(7-12)8-14-11-5-3-10(13-2)4-6-11/h3-6,9H,8H2,1-2H3.
What are the key properties of 3-(4-methoxyphenoxy)-2-methylpropanenitrile?
3-(4-methoxyphenoxy)-2-methylpropanenitrile has a molecular weight of 191.23 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)-2-methylpropanenitrile is sourced from PubChem (CID 43367443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).