3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one

C17H21NO2 — CID 82520467

IUPAC3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
SMILESCC(C)c1ccc(-c2ccc(C(C)(C)O)c(=O)[nH]2)cc1
InChIInChI=1S/C17H21NO2/c1-11(2)12-5-7-13(8-6-12)15-10-9-14(16(19)18-15)17(3,4)20/h5-11,20H,1-4H3,(H,18,19)
InChIKeyMPBNOWQPGLTURT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.39
Rot. Bonds3

About 3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one

3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one (PubChem CID 82520467) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
PubChem CID82520467
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
SMILESCC(C)c1ccc(-c2ccc(C(C)(C)O)c(=O)[nH]2)cc1
InChIInChI=1S/C17H21NO2/c1-11(2)12-5-7-13(8-6-12)15-10-9-14(16(19)18-15)17(3,4)20/h5-11,20H,1-4H3,(H,18,19)
InChIKeyMPBNOWQPGLTURT-UHFFFAOYSA-N
XLogP3.39
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1H-pyridin-2-one
CID 82519671
3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
CID 82520486
3-(bromomethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
CID 82520471
6-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 82124062
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene
CID 91306143
3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one
CID 18467201
2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 129283446
6-(4-chlorophenyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
CID 66497750
3-(4-propan-2-ylphenyl)butan-2-ol
CID 66438061
2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
CID 121300355
6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol
CID 163506374

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one (CID 82520467) is 3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one is CC(C)c1ccc(-c2ccc(C(C)(C)O)c(=O)[nH]2)cc1.
What is the InChIKey of 3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one?
The InChIKey is MPBNOWQPGLTURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11(2)12-5-7-13(8-6-12)15-10-9-14(16(19)18-15)17(3,4)20/h5-11,20H,1-4H3,(H,18,19).
What are the key properties of 3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one?
3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one has a molecular weight of 271.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 82520467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).