3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one

C18H15FN2O2 — CID 2811501

IUPAC3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one
SMILESCOc1ccc(Cc2cc(-c3ccc(F)cc3)n[nH]c2=O)cc1
InChIInChI=1S/C18H15FN2O2/c1-23-16-8-2-12(3-9-16)10-14-11-17(20-21-18(14)22)13-4-6-15(19)7-5-13/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyGLUVBOSADSLOOQ-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.18
Rot. Bonds4

About 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one

3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one (PubChem CID 2811501) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one
PubChem CID2811501
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one
SMILESCOc1ccc(Cc2cc(-c3ccc(F)cc3)n[nH]c2=O)cc1
InChIInChI=1S/C18H15FN2O2/c1-23-16-8-2-12(3-9-16)10-14-11-17(20-21-18(14)22)13-4-6-15(19)7-5-13/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyGLUVBOSADSLOOQ-UHFFFAOYSA-N
XLogP3.18
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-Methoxyphenyl)-2,3-dihydropyridazin-3-one
CID 2810166
3(2H)-Pyridazinone, 4,5-dihydro-6-(4-propoxyphenyl)-
CID 217732
N'-[(E)-(4-methoxyphenyl)methylidene]benzohydrazide
CID 6861535
6-(4-methoxystyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475381
4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide
CID 2529296
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435
4-(4-methoxyphenyl)-N'-[(E)-(4-methylphenyl)methylidene]butanehydrazide
CID 9580173
3-fluoro-N'-(6-methoxy-7-methyl-3,4-dihydro-1(2H)-naphthalenylidene)benzohydrazide
CID 5337426
N'-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)benzohydrazide
CID 5401104
3-methoxy-N'-(3-methyl-1-phenylbutylidene)benzohydrazide
CID 9612616
6-(4-Methoxystyryl)-3-pyridazinol
CID 5707080
6-(4-butoxyphenyl)-4,5-dihydropyridazin-3(2H)-one
CID 12004848

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one (CID 2811501) is 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one is COc1ccc(Cc2cc(-c3ccc(F)cc3)n[nH]c2=O)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one?
The InChIKey is GLUVBOSADSLOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-23-16-8-2-12(3-9-16)10-14-11-17(20-21-18(14)22)13-4-6-15(19)7-5-13/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one?
3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one has a molecular weight of 310.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 2811501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).