4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile

C19H21NO2 — CID 82137685

IUPAC4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
SMILESCOc1ccccc1C(C#N)CCOc1c(C)cccc1C
InChIInChI=1S/C19H21NO2/c1-14-7-6-8-15(2)19(14)22-12-11-16(13-20)17-9-4-5-10-18(17)21-3/h4-10,16H,11-12H2,1-3H3
InChIKeyORXWKLSIDOKKQV-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.39
Rot. Bonds6

About 4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile

4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile (PubChem CID 82137685) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile.

Molecular Properties

Compound Name4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
PubChem CID82137685
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
SMILESCOc1ccccc1C(C#N)CCOc1c(C)cccc1C
InChIInChI=1S/C19H21NO2/c1-14-7-6-8-15(2)19(14)22-12-11-16(13-20)17-9-4-5-10-18(17)21-3/h4-10,16H,11-12H2,1-3H3
InChIKeyORXWKLSIDOKKQV-UHFFFAOYSA-N
XLogP4.39
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-4-(2,6-dimethylphenoxy)butanenitrile
CID 82137092
4-(2,5-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137686
4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137692
3-[1-cyano-3-(2,6-dimethylphenoxy)propyl]benzonitrile
CID 82137729
5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile
CID 82137676
4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile
CID 82137294
2-(2-fluorophenyl)-4-(2,4,5-trimethylphenoxy)butanenitrile
CID 82137279
3-amino-2-(2-methoxyphenyl)propanenitrile
CID 82503443
5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile
CID 82137321
2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile
CID 82139768
2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile
CID 82137348
4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile
CID 82137283

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile?
The IUPAC name of 4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile (CID 82137685) is 4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile.
What is the SMILES notation for 4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile?
The canonical SMILES for 4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile is COc1ccccc1C(C#N)CCOc1c(C)cccc1C.
What is the InChIKey of 4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile?
The InChIKey is ORXWKLSIDOKKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-7-6-8-15(2)19(14)22-12-11-16(13-20)17-9-4-5-10-18(17)21-3/h4-10,16H,11-12H2,1-3H3.
What are the key properties of 4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile?
4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile has a molecular weight of 295.38 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile is sourced from PubChem (CID 82137685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).