4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile

C18H18FNO2 — CID 82137578

IUPAC4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile
SMILESCCOc1ccccc1OCCC(C#N)c1cccc(F)c1
InChIInChI=1S/C18H18FNO2/c1-2-21-17-8-3-4-9-18(17)22-11-10-15(13-20)14-6-5-7-16(19)12-14/h3-9,12,15H,2,10-11H2,1H3
InChIKeyUHUPWXUAZWCDGC-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.30
Rot. Bonds7

About 4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile

4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile (PubChem CID 82137578) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile
PubChem CID82137578
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile
SMILESCCOc1ccccc1OCCC(C#N)c1cccc(F)c1
InChIInChI=1S/C18H18FNO2/c1-2-21-17-8-3-4-9-18(17)22-11-10-15(13-20)14-6-5-7-16(19)12-14/h3-9,12,15H,2,10-11H2,1H3
InChIKeyUHUPWXUAZWCDGC-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

Analyze 4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile
CID 82137552
4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile
CID 82137283
4-(2,4-dimethylphenoxy)-2-(3-fluorophenyl)butanenitrile
CID 82137559
2-(3-fluorophenyl)-4-(4-methoxyphenoxy)butanenitrile
CID 82137521
4-(3-ethylphenoxy)-2-(3-fluorophenyl)butanenitrile
CID 82137556
2-(3-fluorophenyl)-5-phenoxypentanenitrile
CID 82137523
2-(3-chlorophenyl)-4-(2-methylphenoxy)butanenitrile
CID 82137183
2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile
CID 82137130
4-(2,5-dimethylphenoxy)-2-phenylbutanenitrile
CID 82136950
5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile
CID 82137122
N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline
CID 62572879
[(2-ethoxyphenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105192906

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile?
The IUPAC name of 4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile (CID 82137578) is 4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile?
The canonical SMILES for 4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile is CCOc1ccccc1OCCC(C#N)c1cccc(F)c1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile?
The InChIKey is UHUPWXUAZWCDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-2-21-17-8-3-4-9-18(17)22-11-10-15(13-20)14-6-5-7-16(19)12-14/h3-9,12,15H,2,10-11H2,1H3.
What are the key properties of 4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile?
4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile 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 4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile is sourced from PubChem (CID 82137578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).