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

C15H12FNO — CID 172648631

IUPAC4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(C)c2)c(F)c1
InChIInChI=1S/C15H12FNO/c1-10-7-11(3-4-12(10)9-17)14-6-5-13(18-2)8-15(14)16/h3-8H,1-2H3
InChIKeyWQFRIEWOVSMAGW-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.68
Rot. Bonds2

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

4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile (PubChem CID 172648631) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile
PubChem CID172648631
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(C)c2)c(F)c1
InChIInChI=1S/C15H12FNO/c1-10-7-11(3-4-12(10)9-17)14-6-5-13(18-2)8-15(14)16/h3-8H,1-2H3
InChIKeyWQFRIEWOVSMAGW-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

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Related Compounds

2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile
CID 172914864
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile
CID 53220005
4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile
CID 172914645
4-[4-[4-[[4-[4-(4-cyanophenyl)-3-methylphenyl]-3-fluorophenoxy]methoxy]-2-fluorophenyl]-2-methylphenyl]benzonitrile
CID 118260658
4-fluoro-2-(4-methoxyphenyl)benzonitrile
CID 67042916
2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile
CID 172915420
5-(2-fluoro-4-methoxyphenyl)-2-methoxyphenol
CID 53220882
4-(4-amino-3-fluorophenoxy)-2-methylbenzonitrile
CID 81278641
2-chloro-5-(2-fluoro-4-methoxyphenyl)phenol
CID 53221331
2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde
CID 54910502
[4-(2-fluoro-4-methoxyphenyl)phenyl]methanamine
CID 61034326

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile (CID 172648631) is 4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile is COc1ccc(-c2ccc(C#N)c(C)c2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile?
The InChIKey is WQFRIEWOVSMAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-10-7-11(3-4-12(10)9-17)14-6-5-13(18-2)8-15(14)16/h3-8H,1-2H3.
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile?
4-(2-fluoro-4-methoxyphenyl)-2-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 4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile is sourced from PubChem (CID 172648631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).