[4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methanol

C20H19FN2O2 — CID 69106291

IUPAC[4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methanol
SMILESOCc1ccc(OCCCc2ccc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C20H19FN2O2/c21-17-7-5-16(6-8-17)20-12-9-18(22-23-20)2-1-13-25-19-10-3-15(14-24)4-11-19/h3-12,24H,1-2,13-14H2
InChIKeyAWDZFKPRDFPXJZ-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.79
Rot. Bonds7

About [4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methanol

[4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methanol (PubChem CID 69106291) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is [4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methanol
PubChem CID69106291
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name[4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methanol
SMILESOCc1ccc(OCCCc2ccc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C20H19FN2O2/c21-17-7-5-16(6-8-17)20-12-9-18(22-23-20)2-1-13-25-19-10-3-15(14-24)4-11-19/h3-12,24H,1-2,13-14H2
InChIKeyAWDZFKPRDFPXJZ-UHFFFAOYSA-N
XLogP3.79
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.79
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-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methanol?
The IUPAC name of [4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methanol (CID 69106291) is [4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methanol.
What is the SMILES notation for [4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methanol?
The canonical SMILES for [4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methanol is OCc1ccc(OCCCc2ccc(-c3ccc(F)cc3)nn2)cc1.
What is the InChIKey of [4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methanol?
The InChIKey is AWDZFKPRDFPXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-17-7-5-16(6-8-17)20-12-9-18(22-23-20)2-1-13-25-19-10-3-15(14-24)4-11-19/h3-12,24H,1-2,13-14H2.
What are the key properties of [4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methanol?
[4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methanol has a molecular weight of 338.38 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methanol is sourced from PubChem (CID 69106291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).