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

C24H28N2O2 — CID 135727056

IUPAC4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol
SMILESCCCCCCCCOc1ccc(-c2ccc(-c3ccc(O)cc3)nn2)cc1
InChIInChI=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
InChIKeyANQUVOXZRIBLMY-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.26
Rot. Bonds10

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 Name4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol
PubChem CID135727056
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name4-[6-(4-octoxyphenyl)pyridazin-3-yl]phenol
SMILESCCCCCCCCOc1ccc(-c2ccc(-c3ccc(O)cc3)nn2)cc1
InChIInChI=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
InChIKeyANQUVOXZRIBLMY-UHFFFAOYSA-N
XLogP6.26
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).