6-[4-(4-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one

C18H17FN2O2 — CID 20569990

IUPAC6-[4-(4-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccc(-c3ccc(F)cc3)cc2)=NN1CCO
InChIInChI=1S/C18H17FN2O2/c19-16-7-5-14(6-8-16)13-1-3-15(4-2-13)17-9-10-18(23)21(20-17)11-12-22/h1-8,22H,9-12H2
InChIKeyKIIGFJGAVZEYPE-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.81
Rot. Bonds4

About 6-[4-(4-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one

6-[4-(4-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one (PubChem CID 20569990) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one
PubChem CID20569990
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name6-[4-(4-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccc(-c3ccc(F)cc3)cc2)=NN1CCO
InChIInChI=1S/C18H17FN2O2/c19-16-7-5-14(6-8-16)13-1-3-15(4-2-13)17-9-10-18(23)21(20-17)11-12-22/h1-8,22H,9-12H2
InChIKeyKIIGFJGAVZEYPE-UHFFFAOYSA-N
XLogP2.81
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(4-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one (CID 20569990) is 6-[4-(4-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(4-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(4-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one is O=C1CCC(c2ccc(-c3ccc(F)cc3)cc2)=NN1CCO.
What is the InChIKey of 6-[4-(4-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is KIIGFJGAVZEYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-16-7-5-14(6-8-16)13-1-3-15(4-2-13)17-9-10-18(23)21(20-17)11-12-22/h1-8,22H,9-12H2.
What are the key properties of 6-[4-(4-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one?
6-[4-(4-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 312.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 20569990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).