4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile

C18H19NO3 — CID 82137692

IUPAC4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile
SMILESCOc1cccc(OCCC(C#N)c2ccccc2OC)c1
InChIInChI=1S/C18H19NO3/c1-20-15-6-5-7-16(12-15)22-11-10-14(13-19)17-8-3-4-9-18(17)21-2/h3-9,12,14H,10-11H2,1-2H3
InChIKeyHWRCGRGWZDGAHP-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.78
Rot. Bonds7

About 4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile

4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile (PubChem CID 82137692) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile
PubChem CID82137692
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile
SMILESCOc1cccc(OCCC(C#N)c2ccccc2OC)c1
InChIInChI=1S/C18H19NO3/c1-20-15-6-5-7-16(12-15)22-11-10-14(13-19)17-8-3-4-9-18(17)21-2/h3-9,12,14H,10-11H2,1-2H3
InChIKeyHWRCGRGWZDGAHP-UHFFFAOYSA-N
XLogP3.78
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile
CID 82137321
4-(2,5-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137686
4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137685
2-(3-methoxyphenyl)-4-(3-methylphenoxy)butanenitrile
CID 82137803
2-(4-methoxyphenyl)-4-(3-methylphenoxy)butanenitrile
CID 82137627
2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22685564
5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile
CID 82137676
4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile
CID 55144295
3-(3-methoxyphenoxy)-1-phenylpropan-1-ol
CID 116693290
3-amino-2-(2-methoxyphenyl)propanenitrile
CID 82503443
2-(3-methoxyphenoxy)acetonitrile
CID 11041031
6-(3-methylphenoxy)-2-(2-methylphenyl)hexanenitrile
CID 82137305

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile?
The IUPAC name of 4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile (CID 82137692) is 4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile.
What is the SMILES notation for 4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile?
The canonical SMILES for 4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile is COc1cccc(OCCC(C#N)c2ccccc2OC)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile?
The InChIKey is HWRCGRGWZDGAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-20-15-6-5-7-16(12-15)22-11-10-14(13-19)17-8-3-4-9-18(17)21-2/h3-9,12,14H,10-11H2,1-2H3.
What are the key properties of 4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile?
4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile has a molecular weight of 297.35 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile is sourced from PubChem (CID 82137692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).