4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile

C18H19NO — CID 82137294

IUPAC4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile
SMILESCc1ccc(OCCC(C#N)c2ccccc2C)cc1
InChIInChI=1S/C18H19NO/c1-14-7-9-17(10-8-14)20-12-11-16(13-19)18-6-4-3-5-15(18)2/h3-10,16H,11-12H2,1-2H3
InChIKeyVHNDWMRKZBIGOS-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.38
Rot. Bonds5

About 4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile

4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile (PubChem CID 82137294) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile.

Molecular Properties

Compound Name4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile
PubChem CID82137294
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile
SMILESCc1ccc(OCCC(C#N)c2ccccc2C)cc1
InChIInChI=1S/C18H19NO/c1-14-7-9-17(10-8-14)20-12-11-16(13-19)18-6-4-3-5-15(18)2/h3-10,16H,11-12H2,1-2H3
InChIKeyVHNDWMRKZBIGOS-UHFFFAOYSA-N
XLogP4.38
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile
CID 82137348
4-(3,4-difluorophenoxy)-2-(2-methylphenyl)butanenitrile
CID 82137344
6-(3-methylphenoxy)-2-(2-methylphenyl)hexanenitrile
CID 82137305
2-(2,5-dimethylphenyl)-5-phenoxypentanenitrile
CID 82137856
5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile
CID 82137321
2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile
CID 82137277
4-(2,5-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137686
4-(2,5-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile
CID 82137871
2-(2-chlorophenyl)-4-(2,6-dimethylphenoxy)butanenitrile
CID 82137092
4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137685
4-(2,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile
CID 82137872
2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile
CID 82137632

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile?
The IUPAC name of 4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile (CID 82137294) is 4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile.
What is the SMILES notation for 4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile?
The canonical SMILES for 4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile is Cc1ccc(OCCC(C#N)c2ccccc2C)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile?
The InChIKey is VHNDWMRKZBIGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-7-9-17(10-8-14)20-12-11-16(13-19)18-6-4-3-5-15(18)2/h3-10,16H,11-12H2,1-2H3.
What are the key properties of 4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile?
4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile has a molecular weight of 265.36 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile is sourced from PubChem (CID 82137294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).