3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile

C15H12FNO — CID 172914864

IUPAC3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile
SMILESCOc1ccc(-c2cc(C#N)ccc2C)c(F)c1
InChIInChI=1S/C15H12FNO/c1-10-3-4-11(9-17)7-14(10)13-6-5-12(18-2)8-15(13)16/h3-8H,1-2H3
InChIKeyLZVNOYSSWXAGQT-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.68
Rot. Bonds2

About 3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile

3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile (PubChem CID 172914864) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile.

Molecular Properties

Compound Name3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile
PubChem CID172914864
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile
SMILESCOc1ccc(-c2cc(C#N)ccc2C)c(F)c1
InChIInChI=1S/C15H12FNO/c1-10-3-4-11(9-17)7-14(10)13-6-5-12(18-2)8-15(13)16/h3-8H,1-2H3
InChIKeyLZVNOYSSWXAGQT-UHFFFAOYSA-N
XLogP3.68
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile 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

3-(4-chloro-2-fluorophenyl)-4-methylbenzonitrile
CID 172914863
4-(3-fluoro-4-methylphenoxy)benzonitrile
CID 107169205
4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile
CID 172648631
4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile
CID 55129912
4-methoxy(13C)benzonitrile
CID 175991125
4-(4-bromo-2,5-difluorophenyl)-3-methylbenzonitrile
CID 167103476
3-(2,4-dimethoxyphenyl)-5-fluorobenzonitrile
CID 172990799
4-[4-[4-[[4-[4-(4-cyanophenyl)-3-methylphenyl]-3-fluorophenoxy]methoxy]-2-fluorophenyl]-2-methylphenyl]benzonitrile
CID 118260658
4-fluoro-3-methylbenzonitrile
CID 2779180
2-(2-fluoro-4-methoxyphenyl)-4-methylphenol
CID 83130401
4-chloro-3-(4-methoxyphenyl)benzonitrile
CID 172914949
3-(2-fluoro-4-methoxyphenyl)-2-methylpyridine
CID 118448916

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile?
The IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile (CID 172914864) is 3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile.
What is the SMILES notation for 3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile?
The canonical SMILES for 3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile is COc1ccc(-c2cc(C#N)ccc2C)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile?
The InChIKey is LZVNOYSSWXAGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-10-3-4-11(9-17)7-14(10)13-6-5-12(18-2)8-15(13)16/h3-8H,1-2H3.
What are the key properties of 3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile?
3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile has a molecular weight of 241.26 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile is sourced from PubChem (CID 172914864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).