2-(4-fluorophenyl)-5-(2-phenoxyethoxy)pyridazin-3-one

C18H15FN2O3 — CID 122455990

IUPAC2-(4-fluorophenyl)-5-(2-phenoxyethoxy)pyridazin-3-one
SMILESO=c1cc(OCCOc2ccccc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O3/c19-14-6-8-15(9-7-14)21-18(22)12-17(13-20-21)24-11-10-23-16-4-2-1-3-5-16/h1-9,12-13H,10-11H2
InChIKeyVZDKXJWIMWWTSC-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.83
Rot. Bonds6

About 2-(4-fluorophenyl)-5-(2-phenoxyethoxy)pyridazin-3-one

2-(4-fluorophenyl)-5-(2-phenoxyethoxy)pyridazin-3-one (PubChem CID 122455990) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(2-phenoxyethoxy)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(2-phenoxyethoxy)pyridazin-3-one
PubChem CID122455990
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name2-(4-fluorophenyl)-5-(2-phenoxyethoxy)pyridazin-3-one
SMILESO=c1cc(OCCOc2ccccc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O3/c19-14-6-8-15(9-7-14)21-18(22)12-17(13-20-21)24-11-10-23-16-4-2-1-3-5-16/h1-9,12-13H,10-11H2
InChIKeyVZDKXJWIMWWTSC-UHFFFAOYSA-N
XLogP2.83
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(4-fluorophenyl)-5-(2-phenoxyethoxy)pyridazin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-5-(2-phenoxyethoxy)pyridazin-3-one (CID 122455990) is 2-(4-fluorophenyl)-5-(2-phenoxyethoxy)pyridazin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(2-phenoxyethoxy)pyridazin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-(2-phenoxyethoxy)pyridazin-3-one is O=c1cc(OCCOc2ccccc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(2-phenoxyethoxy)pyridazin-3-one?
The InChIKey is VZDKXJWIMWWTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c19-14-6-8-15(9-7-14)21-18(22)12-17(13-20-21)24-11-10-23-16-4-2-1-3-5-16/h1-9,12-13H,10-11H2.
What are the key properties of 2-(4-fluorophenyl)-5-(2-phenoxyethoxy)pyridazin-3-one?
2-(4-fluorophenyl)-5-(2-phenoxyethoxy)pyridazin-3-one has a molecular weight of 326.33 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(2-phenoxyethoxy)pyridazin-3-one is sourced from PubChem (CID 122455990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).