2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone

C16H17NO — CID 55222118

IUPAC2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2cccc(C)n2)c1
InChIInChI=1S/C16H17NO/c1-11-7-12(2)9-14(8-11)10-16(18)15-6-4-5-13(3)17-15/h4-9H,10H2,1-3H3
InChIKeyXCGZUJBNQAFJII-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.43
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone

2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone (PubChem CID 55222118) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone
PubChem CID55222118
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2cccc(C)n2)c1
InChIInChI=1S/C16H17NO/c1-11-7-12(2)9-14(8-11)10-16(18)15-6-4-5-13(3)17-15/h4-9H,10H2,1-3H3
InChIKeyXCGZUJBNQAFJII-UHFFFAOYSA-N
XLogP3.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone (CID 55222118) is 2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone is Cc1cc(C)cc(CC(=O)c2cccc(C)n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone?
The InChIKey is XCGZUJBNQAFJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-7-12(2)9-14(8-11)10-16(18)15-6-4-5-13(3)17-15/h4-9H,10H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone?
2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone has a molecular weight of 239.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 55222118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).