4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol

C₂₄H₂₈N₂O₂ — CID 135727056

About 4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol

4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol (PubChem CID 135727056) has the molecular formula C₂₄H₂₈N₂O₂ and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol.

Molecular Properties

• Compound Name: 4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol
• PubChem CID: 135727056
• Molecular Formula: C₂₄H₂₈N₂O₂
• Molecular Weight: 376.50 g/mol
• Exact Mass: 376.22
• IUPAC Name: 4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol
• SMILES: CCCCCCCCOc1ccc(-c2ccc(-c3ccc(O)cc3)nn2)cc1
• InChI: InChI=1S/C24H28N2O2/c1-2-3-4-5-6-7-18-28-22-14-10-20(11-15-22)24-17-16-23(25-26-24)19-8-12-21(27)13-9-19/h8-17,27H,2-7,18H2,1H3
• InChIKey: ANQUVOXZRIBLMY-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 55.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.50
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol?

The IUPAC name of 4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol (CID 135727056) is 4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol.

What is the SMILES notation for 4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol?

The canonical SMILES for 4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol is CCCCCCCCOc1ccc(-c2ccc(-c3ccc(O)cc3)nn2)cc1.

What is the InChIKey of 4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol?

The InChIKey is ANQUVOXZRIBLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-2-3-4-5-6-7-18-28-22-14-10-20(11-15-22)24-17-16-23(25-26-24)19-8-12-21(27)13-9-19/h8-17,27H,2-7,18H2,1H3.

What are the key properties of 4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol?

4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol has a molecular weight of 376.50 g/mol, XLogP of 6.26, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol is sourced from PubChem (CID 135727056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135727056 — identifiers, structure, computed properties (public domain)

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