4-hydroxy-3,6-dimethyl-1-[(2-methylsulfanylphenyl)methyl]pyridin-2-one

C15H17NO2S — CID 143522440

IUPAC4-hydroxy-3,6-dimethyl-1-[(2-methylsulfanylphenyl)methyl]pyridin-2-one
SMILESCSc1ccccc1Cn1c(C)cc(O)c(C)c1=O
InChIInChI=1S/C15H17NO2S/c1-10-8-13(17)11(2)15(18)16(10)9-12-6-4-5-7-14(12)19-3/h4-8,17H,9H2,1-3H3
InChIKeyXGHZBDORNRSIKY-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.94
Rot. Bonds3

About 4-hydroxy-3,6-dimethyl-1-[(2-methylsulfanylphenyl)methyl]pyridin-2-one

4-hydroxy-3,6-dimethyl-1-[(2-methylsulfanylphenyl)methyl]pyridin-2-one (PubChem CID 143522440) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-hydroxy-3,6-dimethyl-1-[(2-methylsulfanylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3,6-dimethyl-1-[(2-methylsulfanylphenyl)methyl]pyridin-2-one
PubChem CID143522440
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name4-hydroxy-3,6-dimethyl-1-[(2-methylsulfanylphenyl)methyl]pyridin-2-one
SMILESCSc1ccccc1Cn1c(C)cc(O)c(C)c1=O
InChIInChI=1S/C15H17NO2S/c1-10-8-13(17)11(2)15(18)16(10)9-12-6-4-5-7-14(12)19-3/h4-8,17H,9H2,1-3H3
InChIKeyXGHZBDORNRSIKY-UHFFFAOYSA-N
XLogP2.94
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54678659
2-[(4-Fluoro-2-methylsulfanylphenyl)methyl]-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione
CID 54711311
4-Hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one
CID 135045684
1-Ethyl-4-hydroxy-6-methyl-3-{[4-(methylsulfanyl)phenyl](piperidin-1-YL)methyl}-1,2-dihydropyridin-2-one
CID 54729029
4-Hydroxy-1-methyl-6-phenylpyridin-2-one
CID 54704853
1-(2-(methylthio)benzyl)-4-hydroxy-3-iodo-6-methylpyridin-2(1H)-one
CID 57925615
1-(2-(methylthio)benzyl)-3-chloro-4-hydroxy-6-methylpyridin-2(1H)-one
CID 57925681
1-(2-(methylthio)benzyl)-4-hydroxy-6-methylpyridin-2(1H)-one
CID 57925768
1-Benzyl-4-hydroxy-3,6-dimethylpyridin-2-one
CID 57925774
N-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide
CID 59270194
ethane;N-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide
CID 91157354
5-Chloro-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]pyridin-2-one
CID 144318249

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,6-dimethyl-1-[(2-methylsulfanylphenyl)methyl]pyridin-2-one?
The IUPAC name of 4-hydroxy-3,6-dimethyl-1-[(2-methylsulfanylphenyl)methyl]pyridin-2-one (CID 143522440) is 4-hydroxy-3,6-dimethyl-1-[(2-methylsulfanylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3,6-dimethyl-1-[(2-methylsulfanylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 4-hydroxy-3,6-dimethyl-1-[(2-methylsulfanylphenyl)methyl]pyridin-2-one is CSc1ccccc1Cn1c(C)cc(O)c(C)c1=O.
What is the InChIKey of 4-hydroxy-3,6-dimethyl-1-[(2-methylsulfanylphenyl)methyl]pyridin-2-one?
The InChIKey is XGHZBDORNRSIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10-8-13(17)11(2)15(18)16(10)9-12-6-4-5-7-14(12)19-3/h4-8,17H,9H2,1-3H3.
What are the key properties of 4-hydroxy-3,6-dimethyl-1-[(2-methylsulfanylphenyl)methyl]pyridin-2-one?
4-hydroxy-3,6-dimethyl-1-[(2-methylsulfanylphenyl)methyl]pyridin-2-one has a molecular weight of 275.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,6-dimethyl-1-[(2-methylsulfanylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 143522440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).