6-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]-2-methylpyridazin-3-one

C21H22N2O3 — CID 72920062

IUPAC6-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]-2-methylpyridazin-3-one
SMILESCOCCc1ccc(OCc2ccccc2-c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C21H22N2O3/c1-23-21(24)12-11-20(22-23)19-6-4-3-5-17(19)15-26-18-9-7-16(8-10-18)13-14-25-2/h3-12H,13-15H2,1-2H3
InChIKeyRGSVMBAFEPIMPJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.22
Rot. Bonds7

About 6-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]-2-methylpyridazin-3-one

6-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]-2-methylpyridazin-3-one (PubChem CID 72920062) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]-2-methylpyridazin-3-one
PubChem CID72920062
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name6-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]-2-methylpyridazin-3-one
SMILESCOCCc1ccc(OCc2ccccc2-c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C21H22N2O3/c1-23-21(24)12-11-20(22-23)19-6-4-3-5-17(19)15-26-18-9-7-16(8-10-18)13-14-25-2/h3-12H,13-15H2,1-2H3
InChIKeyRGSVMBAFEPIMPJ-UHFFFAOYSA-N
XLogP3.22
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]-2-methylpyridazin-3-one (CID 72920062) is 6-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]-2-methylpyridazin-3-one is COCCc1ccc(OCc2ccccc2-c2ccc(=O)n(C)n2)cc1.
What is the InChIKey of 6-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]-2-methylpyridazin-3-one?
The InChIKey is RGSVMBAFEPIMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-23-21(24)12-11-20(22-23)19-6-4-3-5-17(19)15-26-18-9-7-16(8-10-18)13-14-25-2/h3-12H,13-15H2,1-2H3.
What are the key properties of 6-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]-2-methylpyridazin-3-one?
6-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]-2-methylpyridazin-3-one has a molecular weight of 350.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 72920062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).