2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile

C18H18FNO2 — CID 82137130

IUPAC2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile
SMILESCOc1ccccc1OCCCC(C#N)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO2/c1-21-17-6-2-3-7-18(17)22-12-4-5-15(13-20)14-8-10-16(19)11-9-14/h2-3,6-11,15H,4-5,12H2,1H3
InChIKeyFSWQMLKSKZLWLC-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.30
Rot. Bonds7

About 2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile

2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile (PubChem CID 82137130) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile
PubChem CID82137130
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile
SMILESCOc1ccccc1OCCCC(C#N)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO2/c1-21-17-6-2-3-7-18(17)22-12-4-5-15(13-20)14-8-10-16(19)11-9-14/h2-3,6-11,15H,4-5,12H2,1H3
InChIKeyFSWQMLKSKZLWLC-UHFFFAOYSA-N
XLogP4.30
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.30
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

5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile
CID 82137122
5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile
CID 82137676
2-(4-fluorophenyl)-6-phenoxyhexanenitrile
CID 82137114
2-(4-methoxyphenyl)-5-phenoxypentanenitrile
CID 82137631
4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile
CID 82137578
4-[1-cyano-4-(2,3-dimethylphenoxy)butyl]benzonitrile
CID 82137772
2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile
CID 82137632
2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile
CID 82137170
2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile
CID 70242162
2-(3-fluorophenyl)-5-phenoxypentanenitrile
CID 82137523
4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile
CID 82077294
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile?
The IUPAC name of 2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile (CID 82137130) is 2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile?
The canonical SMILES for 2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile is COc1ccccc1OCCCC(C#N)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile?
The InChIKey is FSWQMLKSKZLWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-21-17-6-2-3-7-18(17)22-12-4-5-15(13-20)14-8-10-16(19)11-9-14/h2-3,6-11,15H,4-5,12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile?
2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile has a molecular weight of 299.35 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile is sourced from PubChem (CID 82137130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).