2-methyl-6-(4-methylbenzoyl)benzonitrile

C16H13NO — CID 154487911

IUPAC2-methyl-6-(4-methylbenzoyl)benzonitrile
SMILESCc1ccc(C(=O)c2cccc(C)c2C#N)cc1
InChIInChI=1S/C16H13NO/c1-11-6-8-13(9-7-11)16(18)14-5-3-4-12(2)15(14)10-17/h3-9H,1-2H3
InChIKeyOAVKVNXCOWACLZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.41
Rot. Bonds2

About 2-methyl-6-(4-methylbenzoyl)benzonitrile

2-methyl-6-(4-methylbenzoyl)benzonitrile (PubChem CID 154487911) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-6-(4-methylbenzoyl)benzonitrile.

Molecular Properties

Compound Name2-methyl-6-(4-methylbenzoyl)benzonitrile
PubChem CID154487911
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name2-methyl-6-(4-methylbenzoyl)benzonitrile
SMILESCc1ccc(C(=O)c2cccc(C)c2C#N)cc1
InChIInChI=1S/C16H13NO/c1-11-6-8-13(9-7-11)16(18)14-5-3-4-12(2)15(14)10-17/h3-9H,1-2H3
InChIKeyOAVKVNXCOWACLZ-UHFFFAOYSA-N
XLogP3.41
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylbenzoyl)benzonitrile?
The IUPAC name of 2-methyl-6-(4-methylbenzoyl)benzonitrile (CID 154487911) is 2-methyl-6-(4-methylbenzoyl)benzonitrile.
What is the SMILES notation for 2-methyl-6-(4-methylbenzoyl)benzonitrile?
The canonical SMILES for 2-methyl-6-(4-methylbenzoyl)benzonitrile is Cc1ccc(C(=O)c2cccc(C)c2C#N)cc1.
What is the InChIKey of 2-methyl-6-(4-methylbenzoyl)benzonitrile?
The InChIKey is OAVKVNXCOWACLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-11-6-8-13(9-7-11)16(18)14-5-3-4-12(2)15(14)10-17/h3-9H,1-2H3.
What are the key properties of 2-methyl-6-(4-methylbenzoyl)benzonitrile?
2-methyl-6-(4-methylbenzoyl)benzonitrile has a molecular weight of 235.29 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylbenzoyl)benzonitrile is sourced from PubChem (CID 154487911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).