2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one

C15H16N2O3 — CID 106548755

IUPAC2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one
SMILESCC(=O)c1ccccc1OCCn1ncc(C)cc1=O
InChIInChI=1S/C15H16N2O3/c1-11-9-15(19)17(16-10-11)7-8-20-14-6-4-3-5-13(14)12(2)18/h3-6,9-10H,7-8H2,1-2H3
InChIKeyNJOZZSAUCVPSCG-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.83
Rot. Bonds5

About 2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one

2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one (PubChem CID 106548755) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one
PubChem CID106548755
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one
SMILESCC(=O)c1ccccc1OCCn1ncc(C)cc1=O
InChIInChI=1S/C15H16N2O3/c1-11-9-15(19)17(16-10-11)7-8-20-14-6-4-3-5-13(14)12(2)18/h3-6,9-10H,7-8H2,1-2H3
InChIKeyNJOZZSAUCVPSCG-UHFFFAOYSA-N
XLogP1.83
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide
CID 106548705
2-[2-(2-acetylphenoxy)ethyl]-6-methylpyridazin-3-one
CID 62923744
2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one
CID 154754926
1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone
CID 82698498
2-[2-(4-bromophenoxy)ethyl]-5-methylpyridazin-3-one
CID 106548893
2-(2-aminooxyethyl)-5-methylpyridazin-3-one
CID 131207528
1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
CID 62019351
1-[2-[6-(aziridin-1-yl)hexoxy]phenyl]ethanone
CID 167050597
6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 19012090
1-[2-[2-[4-(aminomethyl)triazol-1-yl]ethoxy]phenyl]ethanone
CID 62055303
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
2-[4-(2-acetylphenoxy)butyl]isoindole-1,3-dione
CID 112788844

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one (CID 106548755) is 2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one is CC(=O)c1ccccc1OCCn1ncc(C)cc1=O.
What is the InChIKey of 2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one?
The InChIKey is NJOZZSAUCVPSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-11-9-15(19)17(16-10-11)7-8-20-14-6-4-3-5-13(14)12(2)18/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one?
2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one has a molecular weight of 272.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).