4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one

C13H13NO3 — CID 54736914

IUPAC4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one
SMILESCOc1ccc(Cn2ccc(O)cc2=O)cc1
InChIInChI=1S/C13H13NO3/c1-17-12-4-2-10(3-5-12)9-14-7-6-11(15)8-13(14)16/h2-8,15H,9H2,1H3
InChIKeyZXXOKWGPGJNNFB-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.61
Rot. Bonds3

About 4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one

4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one (PubChem CID 54736914) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one
PubChem CID54736914
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one
SMILESCOc1ccc(Cn2ccc(O)cc2=O)cc1
InChIInChI=1S/C13H13NO3/c1-17-12-4-2-10(3-5-12)9-14-7-6-11(15)8-13(14)16/h2-8,15H,9H2,1H3
InChIKeyZXXOKWGPGJNNFB-UHFFFAOYSA-N
XLogP1.61
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502819
6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
CID 127034647
5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 69444298
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
1-(ethoxymethyl)-4-hydroxypyridin-2-one
CID 54731296
3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 141379797
2-[(4-aminophenyl)methyl]-6-methoxyisoquinolin-1-one
CID 82151488
1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 141088850
1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one
CID 69349835
5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 156516413
4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 115614090
[4-[(5-methoxyindol-1-yl)methyl]phenoxy]boronic acid
CID 169006286

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one?
The IUPAC name of 4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one (CID 54736914) is 4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one?
The canonical SMILES for 4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one is COc1ccc(Cn2ccc(O)cc2=O)cc1.
What is the InChIKey of 4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one?
The InChIKey is ZXXOKWGPGJNNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-17-12-4-2-10(3-5-12)9-14-7-6-11(15)8-13(14)16/h2-8,15H,9H2,1H3.
What are the key properties of 4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one?
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 54736914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).