6-(4-methoxyphenoxy)-3,4-bis(4-methoxyphenyl)pyridazine

C25H22N2O4 — CID 10295270

IUPAC6-(4-methoxyphenoxy)-3,4-bis(4-methoxyphenyl)pyridazine
SMILESCOc1ccc(Oc2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C25H22N2O4/c1-28-19-8-4-17(5-9-19)23-16-24(31-22-14-12-21(30-3)13-15-22)26-27-25(23)18-6-10-20(29-2)11-7-18/h4-16H,1-3H3
InChIKeySEPMINNDOOHVOE-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.63
Rot. Bonds7

About 6-(4-methoxyphenoxy)-3,4-bis(4-methoxyphenyl)pyridazine

6-(4-methoxyphenoxy)-3,4-bis(4-methoxyphenyl)pyridazine (PubChem CID 10295270) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 6-(4-methoxyphenoxy)-3,4-bis(4-methoxyphenyl)pyridazine.

Molecular Properties

Compound Name6-(4-methoxyphenoxy)-3,4-bis(4-methoxyphenyl)pyridazine
PubChem CID10295270
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name6-(4-methoxyphenoxy)-3,4-bis(4-methoxyphenyl)pyridazine
SMILESCOc1ccc(Oc2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C25H22N2O4/c1-28-19-8-4-17(5-9-19)23-16-24(31-22-14-12-21(30-3)13-15-22)26-27-25(23)18-6-10-20(29-2)11-7-18/h4-16H,1-3H3
InChIKeySEPMINNDOOHVOE-UHFFFAOYSA-N
XLogP5.63
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenoxy)-3,4-bis(4-methoxyphenyl)pyridazine?
The IUPAC name of 6-(4-methoxyphenoxy)-3,4-bis(4-methoxyphenyl)pyridazine (CID 10295270) is 6-(4-methoxyphenoxy)-3,4-bis(4-methoxyphenyl)pyridazine.
What is the SMILES notation for 6-(4-methoxyphenoxy)-3,4-bis(4-methoxyphenyl)pyridazine?
The canonical SMILES for 6-(4-methoxyphenoxy)-3,4-bis(4-methoxyphenyl)pyridazine is COc1ccc(Oc2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nn2)cc1.
What is the InChIKey of 6-(4-methoxyphenoxy)-3,4-bis(4-methoxyphenyl)pyridazine?
The InChIKey is SEPMINNDOOHVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-28-19-8-4-17(5-9-19)23-16-24(31-22-14-12-21(30-3)13-15-22)26-27-25(23)18-6-10-20(29-2)11-7-18/h4-16H,1-3H3.
What are the key properties of 6-(4-methoxyphenoxy)-3,4-bis(4-methoxyphenyl)pyridazine?
6-(4-methoxyphenoxy)-3,4-bis(4-methoxyphenyl)pyridazine has a molecular weight of 414.46 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenoxy)-3,4-bis(4-methoxyphenyl)pyridazine is sourced from PubChem (CID 10295270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).