2,6-dimethyl-1-(3-propan-2-ylphenyl)pyridin-4-one

C16H19NO — CID 84818804

IUPAC2,6-dimethyl-1-(3-propan-2-ylphenyl)pyridin-4-one
SMILESCc1cc(=O)cc(C)n1-c1cccc(C(C)C)c1
InChIInChI=1S/C16H19NO/c1-11(2)14-6-5-7-15(10-14)17-12(3)8-16(18)9-13(17)4/h5-11H,1-4H3
InChIKeyXJIWICZIKJHDMG-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.58
Rot. Bonds2

About 2,6-dimethyl-1-(3-propan-2-ylphenyl)pyridin-4-one

2,6-dimethyl-1-(3-propan-2-ylphenyl)pyridin-4-one (PubChem CID 84818804) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,6-dimethyl-1-(3-propan-2-ylphenyl)pyridin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-1-(3-propan-2-ylphenyl)pyridin-4-one
PubChem CID84818804
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2,6-dimethyl-1-(3-propan-2-ylphenyl)pyridin-4-one
SMILESCc1cc(=O)cc(C)n1-c1cccc(C(C)C)c1
InChIInChI=1S/C16H19NO/c1-11(2)14-6-5-7-15(10-14)17-12(3)8-16(18)9-13(17)4/h5-11H,1-4H3
InChIKeyXJIWICZIKJHDMG-UHFFFAOYSA-N
XLogP3.58
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one
CID 79884501
3-methyl-9-(3-propan-2-ylphenyl)carbazole
CID 163993337
2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63466097
[2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119561718
1-methyl-4-(3-propan-2-ylphenyl)tetrazol-5-one
CID 123192403
1-(3-propan-2-ylphenyl)pyrrolidin-3-one
CID 43314859
2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine
CID 118133804
1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one
CID 737573
N-(1-cyanopropan-2-yl)-N,2,5-trimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 56523461
2-[[5-oxo-4-(3-propan-2-ylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 62896570
4-chloro-1-(3-propan-2-ylphenyl)pyrrolidin-2-one
CID 168687326
2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one
CID 54975286

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(3-propan-2-ylphenyl)pyridin-4-one?
The IUPAC name of 2,6-dimethyl-1-(3-propan-2-ylphenyl)pyridin-4-one (CID 84818804) is 2,6-dimethyl-1-(3-propan-2-ylphenyl)pyridin-4-one.
What is the SMILES notation for 2,6-dimethyl-1-(3-propan-2-ylphenyl)pyridin-4-one?
The canonical SMILES for 2,6-dimethyl-1-(3-propan-2-ylphenyl)pyridin-4-one is Cc1cc(=O)cc(C)n1-c1cccc(C(C)C)c1.
What is the InChIKey of 2,6-dimethyl-1-(3-propan-2-ylphenyl)pyridin-4-one?
The InChIKey is XJIWICZIKJHDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11(2)14-6-5-7-15(10-14)17-12(3)8-16(18)9-13(17)4/h5-11H,1-4H3.
What are the key properties of 2,6-dimethyl-1-(3-propan-2-ylphenyl)pyridin-4-one?
2,6-dimethyl-1-(3-propan-2-ylphenyl)pyridin-4-one has a molecular weight of 241.33 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(3-propan-2-ylphenyl)pyridin-4-one is sourced from PubChem (CID 84818804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).