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

C15H12FNO — CID 172915420

IUPAC2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile
SMILESCOc1ccc(F)c(-c2cc(C)ccc2C#N)c1
InChIInChI=1S/C15H12FNO/c1-10-3-4-11(9-17)13(7-10)14-8-12(18-2)5-6-15(14)16/h3-8H,1-2H3
InChIKeyFTTBWZHDBDADME-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.68
Rot. Bonds2

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

2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile (PubChem CID 172915420) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile
PubChem CID172915420
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile
SMILESCOc1ccc(F)c(-c2cc(C)ccc2C#N)c1
InChIInChI=1S/C15H12FNO/c1-10-3-4-11(9-17)13(7-10)14-8-12(18-2)5-6-15(14)16/h3-8H,1-2H3
InChIKeyFTTBWZHDBDADME-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-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile
CID 172915416
2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile
CID 107927648
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile
CID 53220005
2-(2,5-dimethylphenyl)sulfanyl-4-methoxybenzonitrile
CID 81303890
4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile
CID 172648631
4-fluoro-2-(4-methoxyphenyl)benzonitrile
CID 67042916
2-(2-fluoro-4-methoxyphenyl)-4-methylphenol
CID 83130401
2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile
CID 62870994
2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile
CID 114898449
4-methoxy-2-(4-propan-2-ylphenyl)benzonitrile
CID 172989867
4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline
CID 114590560
4-[(2,5-dimethylphenyl)methoxy]-2-fluorobenzonitrile
CID 78952741

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile?
The IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile (CID 172915420) is 2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile.
What is the SMILES notation for 2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile?
The canonical SMILES for 2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile is COc1ccc(F)c(-c2cc(C)ccc2C#N)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile?
The InChIKey is FTTBWZHDBDADME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-10-3-4-11(9-17)13(7-10)14-8-12(18-2)5-6-15(14)16/h3-8H,1-2H3.
What are the key properties of 2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile?
2-(2-fluoro-5-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 2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile is sourced from PubChem (CID 172915420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).