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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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).