2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile

C18H19NO2 — CID 106788610

IUPAC2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile
SMILESCCCc1ccc(OCc2ccc(C#N)c(OC)c2)cc1
InChIInChI=1S/C18H19NO2/c1-3-4-14-6-9-17(10-7-14)21-13-15-5-8-16(12-19)18(11-15)20-2/h5-11H,3-4,13H2,1-2H3
InChIKeyJCCAFQOCDOHXPS-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.10
Rot. Bonds6

About 2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile

2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile (PubChem CID 106788610) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile
PubChem CID106788610
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile
SMILESCCCc1ccc(OCc2ccc(C#N)c(OC)c2)cc1
InChIInChI=1S/C18H19NO2/c1-3-4-14-6-9-17(10-7-14)21-13-15-5-8-16(12-19)18(11-15)20-2/h5-11H,3-4,13H2,1-2H3
InChIKeyJCCAFQOCDOHXPS-UHFFFAOYSA-N
XLogP4.10
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile 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

2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile
CID 107882225
4-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788655
[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 106786322
5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile
CID 65341217
2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile
CID 106794520
4-[[3-(hydroxymethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 106788603
2-methoxy-4-[(2,4,5-trichlorophenoxy)methyl]benzonitrile
CID 106788537
2-methoxy-4-(octoxymethyl)benzonitrile
CID 106788564
4-(butan-2-yloxymethyl)-2-methoxybenzonitrile
CID 106788590
4-[(5-bromo-2-methylphenoxy)methyl]-2-methoxybenzonitrile
CID 107283816
2-methoxy-4-(phenylmethoxymethyl)benzonitrile
CID 106788482
4-(iodomethyl)-2-methoxybenzonitrile
CID 106794525

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile?
The IUPAC name of 2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile (CID 106788610) is 2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile?
The canonical SMILES for 2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile is CCCc1ccc(OCc2ccc(C#N)c(OC)c2)cc1.
What is the InChIKey of 2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile?
The InChIKey is JCCAFQOCDOHXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-4-14-6-9-17(10-7-14)21-13-15-5-8-16(12-19)18(11-15)20-2/h5-11H,3-4,13H2,1-2H3.
What are the key properties of 2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile?
2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile has a molecular weight of 281.36 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile is sourced from PubChem (CID 106788610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).