4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile

C15H12BrN — CID 151004170

IUPAC4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile
SMILESCc1cc(-c2ccc(Br)cc2C)ccc1C#N
InChIInChI=1S/C15H12BrN/c1-10-7-12(3-4-13(10)9-17)15-6-5-14(16)8-11(15)2/h3-8H,1-2H3
InChIKeyLUSUNEMYTYBPTJ-UHFFFAOYSA-N
MW286.17 g/mol
LogP4.60
Rot. Bonds1

About 4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile

4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile (PubChem CID 151004170) has the molecular formula C15H12BrN and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile
PubChem CID151004170
Molecular FormulaC15H12BrN
Molecular Weight286.17 g/mol
Exact Mass285.02
IUPAC Name4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile
SMILESCc1cc(-c2ccc(Br)cc2C)ccc1C#N
InChIInChI=1S/C15H12BrN/c1-10-7-12(3-4-13(10)9-17)15-6-5-14(16)8-11(15)2/h3-8H,1-2H3
InChIKeyLUSUNEMYTYBPTJ-UHFFFAOYSA-N
XLogP4.60
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile
CID 175534790
1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene
CID 167027161
4-bromo-1-(4-fluorophenyl)-2-methylbenzene
CID 67156128
4-[4-[9-[4-(4-cyanophenyl)phenyl]nonyl]-2-methylphenyl]-2-methylbenzonitrile
CID 155259448
4-(4-aminophenyl)-2-methylbenzonitrile
CID 142273516
4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile
CID 141464869
4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile
CID 172648631
1-(4-bromophenyl)-2,4-dimethylbenzene
CID 83659015
4-(5-bromo-2-chloroanilino)-2-methylbenzonitrile
CID 81282579
2,4-diamino-6-(4-bromo-2-methylphenyl)pyrimidine-5-carbonitrile
CID 169396212
5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile
CID 175684018
2-(4-bromo-2-methylphenoxy)-4-methylbenzonitrile
CID 63512756

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile?
The IUPAC name of 4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile (CID 151004170) is 4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile.
What is the SMILES notation for 4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile?
The canonical SMILES for 4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile is Cc1cc(-c2ccc(Br)cc2C)ccc1C#N.
What is the InChIKey of 4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile?
The InChIKey is LUSUNEMYTYBPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN/c1-10-7-12(3-4-13(10)9-17)15-6-5-14(16)8-11(15)2/h3-8H,1-2H3.
What are the key properties of 4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile?
4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile has a molecular weight of 286.17 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile is sourced from PubChem (CID 151004170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).