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

C15H17NO3 — CID 82064624

IUPAC2-methyl-3-[2-(4-methylphenoxy)ethoxy]-1H-pyridin-4-one
SMILESCc1ccc(OCCOc2c(C)[nH]ccc2=O)cc1
InChIInChI=1S/C15H17NO3/c1-11-3-5-13(6-4-11)18-9-10-19-15-12(2)16-8-7-14(15)17/h3-8H,9-10H2,1-2H3,(H,16,17)
InChIKeyQYJZVOBKOXMAFO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.45
Rot. Bonds5

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

2-methyl-3-[2-(4-methylphenoxy)ethoxy]-1H-pyridin-4-one (PubChem CID 82064624) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-3-[2-(4-methylphenoxy)ethoxy]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-[2-(4-methylphenoxy)ethoxy]-1H-pyridin-4-one
PubChem CID82064624
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-methyl-3-[2-(4-methylphenoxy)ethoxy]-1H-pyridin-4-one
SMILESCc1ccc(OCCOc2c(C)[nH]ccc2=O)cc1
InChIInChI=1S/C15H17NO3/c1-11-3-5-13(6-4-11)18-9-10-19-15-12(2)16-8-7-14(15)17/h3-8H,9-10H2,1-2H3,(H,16,17)
InChIKeyQYJZVOBKOXMAFO-UHFFFAOYSA-N
XLogP2.45
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-chlorophenoxy)butoxy]-2-methyl-1H-pyridin-4-one
CID 93213232
3-[3-(4-chlorophenoxy)propoxy]-2-methyl-1H-pyridin-4-one
CID 82064638
1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene
CID 58376578
N-(4-ethoxyphenyl)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064535
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene
CID 143724561
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
3-bromo-5-chloro-2-[2-(4-methylphenoxy)ethoxy]benzaldehyde
CID 20990408
1-methyl-4-(phosphorosooxymethoxy)benzene
CID 174811270
N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide
CID 47108527
3-bromo-5-chloro-2-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 20993634

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(4-methylphenoxy)ethoxy]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-[2-(4-methylphenoxy)ethoxy]-1H-pyridin-4-one (CID 82064624) is 2-methyl-3-[2-(4-methylphenoxy)ethoxy]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-[2-(4-methylphenoxy)ethoxy]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-[2-(4-methylphenoxy)ethoxy]-1H-pyridin-4-one is Cc1ccc(OCCOc2c(C)[nH]ccc2=O)cc1.
What is the InChIKey of 2-methyl-3-[2-(4-methylphenoxy)ethoxy]-1H-pyridin-4-one?
The InChIKey is QYJZVOBKOXMAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11-3-5-13(6-4-11)18-9-10-19-15-12(2)16-8-7-14(15)17/h3-8H,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-3-[2-(4-methylphenoxy)ethoxy]-1H-pyridin-4-one?
2-methyl-3-[2-(4-methylphenoxy)ethoxy]-1H-pyridin-4-one has a molecular weight of 259.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(4-methylphenoxy)ethoxy]-1H-pyridin-4-one is sourced from PubChem (CID 82064624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).