5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile

C19H21NO2 — CID 82137321

IUPAC5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile
SMILESCOc1cccc(OCCCC(C#N)c2ccccc2C)c1
InChIInChI=1S/C19H21NO2/c1-15-7-3-4-11-19(15)16(14-20)8-6-12-22-18-10-5-9-17(13-18)21-2/h3-5,7,9-11,13,16H,6,8,12H2,1-2H3
InChIKeyPFJGMKVSLRKTFA-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.47
Rot. Bonds7

About 5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile

5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile (PubChem CID 82137321) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile.

Molecular Properties

Compound Name5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile
PubChem CID82137321
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile
SMILESCOc1cccc(OCCCC(C#N)c2ccccc2C)c1
InChIInChI=1S/C19H21NO2/c1-15-7-3-4-11-19(15)16(14-20)8-6-12-22-18-10-5-9-17(13-18)21-2/h3-5,7,9-11,13,16H,6,8,12H2,1-2H3
InChIKeyPFJGMKVSLRKTFA-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

6-(3-methylphenoxy)-2-(2-methylphenyl)hexanenitrile
CID 82137305
4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137692
2-(2,5-dimethylphenyl)-5-phenoxypentanenitrile
CID 82137856
4-(3,4-difluorophenoxy)-2-(2-methylphenyl)butanenitrile
CID 82137344
4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile
CID 82137294
2-(4-methoxyphenyl)-5-phenoxypentanenitrile
CID 82137631
2-(3-methoxyphenyl)-4-(3-methylphenoxy)butanenitrile
CID 82137803
2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile
CID 82137348
4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137685
6-(3-methylphenoxy)-2-phenylhexanenitrile
CID 82136903
4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile
CID 55144295
2-(4-methoxyphenyl)-4-(3-methylphenoxy)butanenitrile
CID 82137627

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile?
The IUPAC name of 5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile (CID 82137321) is 5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile.
What is the SMILES notation for 5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile?
The canonical SMILES for 5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile is COc1cccc(OCCCC(C#N)c2ccccc2C)c1.
What is the InChIKey of 5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile?
The InChIKey is PFJGMKVSLRKTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-15-7-3-4-11-19(15)16(14-20)8-6-12-22-18-10-5-9-17(13-18)21-2/h3-5,7,9-11,13,16H,6,8,12H2,1-2H3.
What are the key properties of 5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile?
5-(3-methoxyphenoxy)-2-(2-methylphenyl)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 5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile is sourced from PubChem (CID 82137321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).