2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one

C15H17NO4 — CID 82063884

IUPAC2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one
SMILESCc1cccc(OCCOc2c[nH]c(CO)cc2=O)c1
InChIInChI=1S/C15H17NO4/c1-11-3-2-4-13(7-11)19-5-6-20-15-9-16-12(10-17)8-14(15)18/h2-4,7-9,17H,5-6,10H2,1H3,(H,16,18)
InChIKeyGXLVYAROIAJSNW-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.63
Rot. Bonds6

About 2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one

2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one (PubChem CID 82063884) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one
PubChem CID82063884
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one
SMILESCc1cccc(OCCOc2c[nH]c(CO)cc2=O)c1
InChIInChI=1S/C15H17NO4/c1-11-3-2-4-13(7-11)19-5-6-20-15-9-16-12(10-17)8-14(15)18/h2-4,7-9,17H,5-6,10H2,1H3,(H,16,18)
InChIKeyGXLVYAROIAJSNW-UHFFFAOYSA-N
XLogP1.63
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one
CID 82063932
2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]pyran-4-one
CID 82064033
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
CID 82063845
1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone
CID 78767186
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-hydroxy-4-(3-methylphenoxy)butan-2-one
CID 95437359
2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol
CID 91322801
3-[2-(3-methylphenoxy)ethoxy]thiophene-2-carboxylic acid
CID 55201757
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337273
2-(3-methylphenoxy)ethyl butanoate
CID 13247559

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one?
The IUPAC name of 2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one (CID 82063884) is 2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one is Cc1cccc(OCCOc2c[nH]c(CO)cc2=O)c1.
What is the InChIKey of 2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one?
The InChIKey is GXLVYAROIAJSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-11-3-2-4-13(7-11)19-5-6-20-15-9-16-12(10-17)8-14(15)18/h2-4,7-9,17H,5-6,10H2,1H3,(H,16,18).
What are the key properties of 2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one?
2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one has a molecular weight of 275.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one is sourced from PubChem (CID 82063884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).