1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone

C16H17NO — CID 62549667

IUPAC1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)c2ccncc2)c(C)c1
InChIInChI=1S/C16H17NO/c1-11-8-12(2)15(13(3)9-11)10-16(18)14-4-6-17-7-5-14/h4-9H,10H2,1-3H3
InChIKeyIRWAHIYYUXEJIU-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.43
Rot. Bonds3

About 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone

1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone (PubChem CID 62549667) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone
PubChem CID62549667
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)c2ccncc2)c(C)c1
InChIInChI=1S/C16H17NO/c1-11-8-12(2)15(13(3)9-11)10-16(18)14-4-6-17-7-5-14/h4-9H,10H2,1-3H3
InChIKeyIRWAHIYYUXEJIU-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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Related Compounds

2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone
CID 22993741
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 62549306
1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114966101
4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one
CID 105085803
2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone
CID 105373154
N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide
CID 101424780
1-(4-methylphenyl)-2-pyridin-4-ylethanone
CID 11367827
2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone
CID 60924746
1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 79722512
1-(2-methylfuran-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 104789347
1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone
CID 55120466
2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone
CID 112731545

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone (CID 62549667) is 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(CC(=O)c2ccncc2)c(C)c1.
What is the InChIKey of 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is IRWAHIYYUXEJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-8-12(2)15(13(3)9-11)10-16(18)14-4-6-17-7-5-14/h4-9H,10H2,1-3H3.
What are the key properties of 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone?
1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)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 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 62549667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).