3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one

C17H12N2O3 — CID 11716262

IUPAC3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one
SMILESCOc1ccc(-c2ccc(=O)[nH]n2)c2c1oc1ccccc12
InChIInChI=1S/C17H12N2O3/c1-21-14-8-6-10(12-7-9-15(20)19-18-12)16-11-4-2-3-5-13(11)22-17(14)16/h2-9H,1H3,(H,19,20)
InChIKeyODNUEKACOJYALK-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.34
Rot. Bonds2

About 3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one

3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one (PubChem CID 11716262) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one
PubChem CID11716262
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one
SMILESCOc1ccc(-c2ccc(=O)[nH]n2)c2c1oc1ccccc12
InChIInChI=1S/C17H12N2O3/c1-21-14-8-6-10(12-7-9-15(20)19-18-12)16-11-4-2-3-5-13(11)22-17(14)16/h2-9H,1H3,(H,19,20)
InChIKeyODNUEKACOJYALK-UHFFFAOYSA-N
XLogP3.34
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one (CID 11716262) is 3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one is COc1ccc(-c2ccc(=O)[nH]n2)c2c1oc1ccccc12.
What is the InChIKey of 3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one?
The InChIKey is ODNUEKACOJYALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c1-21-14-8-6-10(12-7-9-15(20)19-18-12)16-11-4-2-3-5-13(11)22-17(14)16/h2-9H,1H3,(H,19,20).
What are the key properties of 3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one?
3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one has a molecular weight of 292.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 11716262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).