3-[4-(4-fluorophenoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C17H15FN2O2 — CID 20569980

IUPAC3-[4-(4-fluorophenoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN2O2/c1-11-10-16(21)19-20-17(11)12-2-6-14(7-3-12)22-15-8-4-13(18)5-9-15/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyXTFIEAUSPPOTBH-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.48
Rot. Bonds3

About 3-[4-(4-fluorophenoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-[4-(4-fluorophenoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 20569980) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-[4-(4-fluorophenoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(4-fluorophenoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID20569980
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-[4-(4-fluorophenoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN2O2/c1-11-10-16(21)19-20-17(11)12-2-6-14(7-3-12)22-15-8-4-13(18)5-9-15/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyXTFIEAUSPPOTBH-UHFFFAOYSA-N
XLogP3.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 20569980) is 3-[4-(4-fluorophenoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(4-fluorophenoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(4-fluorophenoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is XTFIEAUSPPOTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-11-10-16(21)19-20-17(11)12-2-6-14(7-3-12)22-15-8-4-13(18)5-9-15/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of 3-[4-(4-fluorophenoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(4-fluorophenoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 298.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 20569980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).