3-(4-methoxyphenyl)-6-phenoxypyridazine

C17H14N2O2 — CID 141046208

IUPAC3-(4-methoxyphenyl)-6-phenoxypyridazine
SMILESCOc1ccc(-c2ccc(Oc3ccccc3)nn2)cc1
InChIInChI=1S/C17H14N2O2/c1-20-14-9-7-13(8-10-14)16-11-12-17(19-18-16)21-15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyQSDUWRNLCSJMJS-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.94
Rot. Bonds4

About 3-(4-methoxyphenyl)-6-phenoxypyridazine

3-(4-methoxyphenyl)-6-phenoxypyridazine (PubChem CID 141046208) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-phenoxypyridazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-phenoxypyridazine
PubChem CID141046208
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-(4-methoxyphenyl)-6-phenoxypyridazine
SMILESCOc1ccc(-c2ccc(Oc3ccccc3)nn2)cc1
InChIInChI=1S/C17H14N2O2/c1-20-14-9-7-13(8-10-14)16-11-12-17(19-18-16)21-15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyQSDUWRNLCSJMJS-UHFFFAOYSA-N
XLogP3.94
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-phenoxypyridazine?
The IUPAC name of 3-(4-methoxyphenyl)-6-phenoxypyridazine (CID 141046208) is 3-(4-methoxyphenyl)-6-phenoxypyridazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-phenoxypyridazine?
The canonical SMILES for 3-(4-methoxyphenyl)-6-phenoxypyridazine is COc1ccc(-c2ccc(Oc3ccccc3)nn2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-phenoxypyridazine?
The InChIKey is QSDUWRNLCSJMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-20-14-9-7-13(8-10-14)16-11-12-17(19-18-16)21-15-5-3-2-4-6-15/h2-12H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-6-phenoxypyridazine?
3-(4-methoxyphenyl)-6-phenoxypyridazine has a molecular weight of 278.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-phenoxypyridazine is sourced from PubChem (CID 141046208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).