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

C18H23NO3 — CID 82518062

IUPAC3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccc(OC)cc2)ccc(C(C)(C)O)c1=O
InChIInChI=1S/C18H23NO3/c1-5-12-19-16(13-6-8-14(22-4)9-7-13)11-10-15(17(19)20)18(2,3)21/h6-11,21H,5,12H2,1-4H3
InChIKeyXEBSSINDOCMEME-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.16
Rot. Bonds5

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

3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propylpyridin-2-one (PubChem CID 82518062) 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-propylpyridin-2-one.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propylpyridin-2-one
PubChem CID82518062
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccc(OC)cc2)ccc(C(C)(C)O)c1=O
InChIInChI=1S/C18H23NO3/c1-5-12-19-16(13-6-8-14(22-4)9-7-13)11-10-15(17(19)20)18(2,3)21/h6-11,21H,5,12H2,1-4H3
InChIKeyXEBSSINDOCMEME-UHFFFAOYSA-N
XLogP3.16
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one
CID 82521239
3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82518078
2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole
CID 82081578
6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one
CID 82519868
5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione
CID 44588473
6-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxylic acid
CID 82099856
6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one
CID 82519641
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one
CID 82189452
3-(2-aminopropan-2-yl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one
CID 82517946
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82519305
1-butyl-6-(4-methoxyphenyl)-3,4-diphenylpyridin-2-one
CID 102087276

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propylpyridin-2-one?
The IUPAC name of 3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propylpyridin-2-one (CID 82518062) is 3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propylpyridin-2-one.
What is the SMILES notation for 3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propylpyridin-2-one?
The canonical SMILES for 3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propylpyridin-2-one is CCCn1c(-c2ccc(OC)cc2)ccc(C(C)(C)O)c1=O.
What is the InChIKey of 3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propylpyridin-2-one?
The InChIKey is XEBSSINDOCMEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-5-12-19-16(13-6-8-14(22-4)9-7-13)11-10-15(17(19)20)18(2,3)21/h6-11,21H,5,12H2,1-4H3.
What are the key properties of 3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propylpyridin-2-one?
3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propylpyridin-2-one has a molecular weight of 301.39 g/mol, XLogP of 3.16, 5 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-propylpyridin-2-one is sourced from PubChem (CID 82518062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).