4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethoxy]benzaldehyde

C20H18N2O4 — CID 58877784

IUPAC4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethoxy]benzaldehyde
SMILESCOc1ccc(-c2ccc(OCCOc3ccc(C=O)cc3)nn2)cc1
InChIInChI=1S/C20H18N2O4/c1-24-17-8-4-16(5-9-17)19-10-11-20(22-21-19)26-13-12-25-18-6-2-15(14-23)3-7-18/h2-11,14H,12-13H2,1H3
InChIKeyZQSZIXQUFLFOEI-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.42
Rot. Bonds8

About 4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethoxy]benzaldehyde

4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethoxy]benzaldehyde (PubChem CID 58877784) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethoxy]benzaldehyde
PubChem CID58877784
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethoxy]benzaldehyde
SMILESCOc1ccc(-c2ccc(OCCOc3ccc(C=O)cc3)nn2)cc1
InChIInChI=1S/C20H18N2O4/c1-24-17-8-4-16(5-9-17)19-10-11-20(22-21-19)26-13-12-25-18-6-2-15(14-23)3-7-18/h2-11,14H,12-13H2,1H3
InChIKeyZQSZIXQUFLFOEI-UHFFFAOYSA-N
XLogP3.42
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethoxy]benzaldehyde?
The IUPAC name of 4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethoxy]benzaldehyde (CID 58877784) is 4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethoxy]benzaldehyde.
What is the SMILES notation for 4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethoxy]benzaldehyde?
The canonical SMILES for 4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethoxy]benzaldehyde is COc1ccc(-c2ccc(OCCOc3ccc(C=O)cc3)nn2)cc1.
What is the InChIKey of 4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethoxy]benzaldehyde?
The InChIKey is ZQSZIXQUFLFOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-24-17-8-4-16(5-9-17)19-10-11-20(22-21-19)26-13-12-25-18-6-2-15(14-23)3-7-18/h2-11,14H,12-13H2,1H3.
What are the key properties of 4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethoxy]benzaldehyde?
4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethoxy]benzaldehyde has a molecular weight of 350.37 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethoxy]benzaldehyde is sourced from PubChem (CID 58877784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).