4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile

C15H12FNO — CID 172914645

IUPAC4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile
SMILESCOc1cccc(-c2cc(F)c(C)cc2C#N)c1
InChIInChI=1S/C15H12FNO/c1-10-6-12(9-17)14(8-15(10)16)11-4-3-5-13(7-11)18-2/h3-8H,1-2H3
InChIKeyLZNZLNGRDHNHSI-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.68
Rot. Bonds2

About 4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile

4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile (PubChem CID 172914645) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is 4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile.

Molecular Properties

Compound Name4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile
PubChem CID172914645
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile
SMILESCOc1cccc(-c2cc(F)c(C)cc2C#N)c1
InChIInChI=1S/C15H12FNO/c1-10-6-12(9-17)14(8-15(10)16)11-4-3-5-13(7-11)18-2/h3-8H,1-2H3
InChIKeyLZNZLNGRDHNHSI-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

4-amino-2-fluoro-5-(3-methoxyphenyl)benzonitrile
CID 168654720
4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 82114912
5-amino-2-(3-methoxyphenyl)benzonitrile
CID 171663277
2-(3-methoxyphenyl)-3-methylbenzonitrile
CID 172915337
4,5-difluoro-2-[3-(trifluoromethoxy)phenyl]benzonitrile
CID 172648931
2-fluoro-4-(3-methoxyphenyl)-5-methylaniline
CID 68764353
2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile
CID 171919375
4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile
CID 172648631
3-(3-methoxyphenyl)benzonitrile
CID 4189594
4-fluoro-5-methylbenzene-1,2-dicarbonitrile
CID 146962290
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
1-ethynyl-2-(3-methoxyphenyl)-4-methylbenzene
CID 169408154

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile?
The IUPAC name of 4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile (CID 172914645) is 4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile.
What is the SMILES notation for 4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile?
The canonical SMILES for 4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile is COc1cccc(-c2cc(F)c(C)cc2C#N)c1.
What is the InChIKey of 4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile?
The InChIKey is LZNZLNGRDHNHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-10-6-12(9-17)14(8-15(10)16)11-4-3-5-13(7-11)18-2/h3-8H,1-2H3.
What are the key properties of 4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile?
4-fluoro-2-(3-methoxyphenyl)-5-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-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile is sourced from PubChem (CID 172914645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).