1-(4-butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one

C16H19NO3 — CID 118736604

IUPAC1-(4-butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one
SMILESCCCCc1ccc(-n2cc(O)c(=O)cc2CO)cc1
InChIInChI=1S/C16H19NO3/c1-2-3-4-12-5-7-13(8-6-12)17-10-16(20)15(19)9-14(17)11-18/h5-10,18,20H,2-4,11H2,1H3
InChIKeyMQTSNYKWIBMWNM-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.38
Rot. Bonds5

About 1-(4-butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one

1-(4-butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one (PubChem CID 118736604) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(4-butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(4-butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one
PubChem CID118736604
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(4-butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one
SMILESCCCCc1ccc(-n2cc(O)c(=O)cc2CO)cc1
InChIInChI=1S/C16H19NO3/c1-2-3-4-12-5-7-13(8-6-12)17-10-16(20)15(19)9-14(17)11-18/h5-10,18,20H,2-4,11H2,1H3
InChIKeyMQTSNYKWIBMWNM-UHFFFAOYSA-N
XLogP2.38
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hydroxy-2-(1-hydroxyethyl)-1-(3-phenylphenyl)pyridin-4-one
CID 53379379
1-biphenyl-3-yl-5-hydroxy-2-methylpyridin-4(1H)-one
CID 67418555
1-(3,5-Dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one
CID 69932313
5-Hydroxy-1-(3-phenylphenyl)-2-propan-2-ylpyridin-4-one
CID 69932517
5-Hydroxy-2-(hydroxymethyl)-1-(4-phenylphenyl)pyridin-4-one
CID 118736605
5-Hydroxy-2-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-one
CID 118736606
5-Hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one
CID 118736608
5-Hydroxy-2-(1-hydroxy-2-methylpropyl)-1-(3-phenylphenyl)pyridin-4-one
CID 118736609
5-Hydroxy-2-(hydroxymethyl)-1-phenylpyridin-4(1H)-one
CID 12468238
5-Hydroxy-2-methyl-1-(4-phenylphenyl)pyridin-4-one
CID 130424161
5-Hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one
CID 13130143
1-(2,4-Dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one
CID 118736602

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one?
The IUPAC name of 1-(4-butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one (CID 118736604) is 1-(4-butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one.
What is the SMILES notation for 1-(4-butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one?
The canonical SMILES for 1-(4-butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one is CCCCc1ccc(-n2cc(O)c(=O)cc2CO)cc1.
What is the InChIKey of 1-(4-butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one?
The InChIKey is MQTSNYKWIBMWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-3-4-12-5-7-13(8-6-12)17-10-16(20)15(19)9-14(17)11-18/h5-10,18,20H,2-4,11H2,1H3.
What are the key properties of 1-(4-butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one?
1-(4-butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one has a molecular weight of 273.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one is sourced from PubChem (CID 118736604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).