2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile

C19H21NO2 — CID 82137632

IUPAC2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile
SMILESCOc1ccc(C(C#N)CCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-15-5-9-19(10-6-15)22-13-3-4-17(14-20)16-7-11-18(21-2)12-8-16/h5-12,17H,3-4,13H2,1-2H3
InChIKeyQUXJVGDURAEJMP-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.47
Rot. Bonds7

About 2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile

2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile (PubChem CID 82137632) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile
PubChem CID82137632
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile
SMILESCOc1ccc(C(C#N)CCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-15-5-9-19(10-6-15)22-13-3-4-17(14-20)16-7-11-18(21-2)12-8-16/h5-12,17H,3-4,13H2,1-2H3
InChIKeyQUXJVGDURAEJMP-UHFFFAOYSA-N
XLogP4.47
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-5-phenoxypentanenitrile
CID 82137631
2-(4-methoxyphenyl)-4-(3-methylphenoxy)butanenitrile
CID 82137627
5-(3,5-dimethylphenoxy)-2-phenylpentanenitrile
CID 82136917
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
2-(3-fluorophenyl)-4-(4-methoxyphenoxy)butanenitrile
CID 82137521
2-(4-methylphenyl)pentanenitrile
CID 82074843
1-[1-bromo-4-(4-methoxyphenoxy)butan-2-yl]-4-methylbenzene
CID 79431541
[3-cyano-3-(4-methoxyphenyl)propyl] 3-oxobutanoate
CID 54254921
4-(3-ethylphenoxy)-2-(4-methylphenyl)butanenitrile
CID 82137019
2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile
CID 82137130
2-(4-methylphenyl)-5-phenylpentanenitrile
CID 82137049
4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile
CID 82137039

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile?
The IUPAC name of 2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile (CID 82137632) is 2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile is COc1ccc(C(C#N)CCCOc2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile?
The InChIKey is QUXJVGDURAEJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-15-5-9-19(10-6-15)22-13-3-4-17(14-20)16-7-11-18(21-2)12-8-16/h5-12,17H,3-4,13H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile?
2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile has a molecular weight of 295.38 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile is sourced from PubChem (CID 82137632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).