3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one

C18H23NO3 — CID 82518078

IUPAC3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one
SMILESCOc1ccc(-c2ccc(C(C)(C)O)c(=O)n2C(C)C)cc1
InChIInChI=1S/C18H23NO3/c1-12(2)19-16(13-6-8-14(22-5)9-7-13)11-10-15(17(19)20)18(3,4)21/h6-12,21H,1-5H3
InChIKeyFCACBNPSHUIBKM-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.33
Rot. Bonds4

About 3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one

3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one (PubChem CID 82518078) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one
PubChem CID82518078
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one
SMILESCOc1ccc(-c2ccc(C(C)(C)O)c(=O)n2C(C)C)cc1
InChIInChI=1S/C18H23NO3/c1-12(2)19-16(13-6-8-14(22-5)9-7-13)11-10-15(17(19)20)18(3,4)21/h6-12,21H,1-5H3
InChIKeyFCACBNPSHUIBKM-UHFFFAOYSA-N
XLogP3.33
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propylpyridin-2-one
CID 82518062
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide
CID 82517919
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82517921
2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile
CID 82517833
3-(ethylaminomethyl)-6-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82518544
6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 82099792
5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole
CID 12833672
5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole
CID 54388388
3-(2-aminopropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyridin-2-one
CID 82516804
6-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxylic acid
CID 82099856
3-(2-aminopropan-2-yl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one
CID 82517946
methyl 5-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 117222769

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one (CID 82518078) is 3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one is COc1ccc(-c2ccc(C(C)(C)O)c(=O)n2C(C)C)cc1.
What is the InChIKey of 3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one?
The InChIKey is FCACBNPSHUIBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-12(2)19-16(13-6-8-14(22-5)9-7-13)11-10-15(17(19)20)18(3,4)21/h6-12,21H,1-5H3.
What are the key properties of 3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one?
3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one has a molecular weight of 301.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82518078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).