5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one

C16H19NO2 — CID 82419586

IUPAC5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one
SMILESCc1ccccc1-n1cc(C(C)(C)O)c(=O)cc1C
InChIInChI=1S/C16H19NO2/c1-11-7-5-6-8-14(11)17-10-13(16(3,4)19)15(18)9-12(17)2/h5-10,19H,1-4H3
InChIKeyVKULNTYKROCOLD-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.68
Rot. Bonds2

About 5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one

5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one (PubChem CID 82419586) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one
PubChem CID82419586
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one
SMILESCc1ccccc1-n1cc(C(C)(C)O)c(=O)cc1C
InChIInChI=1S/C16H19NO2/c1-11-7-5-6-8-14(11)17-10-13(16(3,4)19)15(18)9-12(17)2/h5-10,19H,1-4H3
InChIKeyVKULNTYKROCOLD-UHFFFAOYSA-N
XLogP2.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one?
The IUPAC name of 5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one (CID 82419586) is 5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one is Cc1ccccc1-n1cc(C(C)(C)O)c(=O)cc1C.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one?
The InChIKey is VKULNTYKROCOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-7-5-6-8-14(11)17-10-13(16(3,4)19)15(18)9-12(17)2/h5-10,19H,1-4H3.
What are the key properties of 5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one?
5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one has a molecular weight of 257.33 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one is sourced from PubChem (CID 82419586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).