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

C16H13FN2O2 — CID 137473665

IUPAC3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(-c3ccc(O)cc3)c(F)c2)=NN1
InChIInChI=1S/C16H13FN2O2/c17-14-9-11(15-7-8-16(21)19-18-15)3-6-13(14)10-1-4-12(20)5-2-10/h1-6,9,20H,7-8H2,(H,19,21)
InChIKeyDRRLVZLWLMUMBG-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.81
Rot. Bonds2

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

3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137473665) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137473665
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(-c3ccc(O)cc3)c(F)c2)=NN1
InChIInChI=1S/C16H13FN2O2/c17-14-9-11(15-7-8-16(21)19-18-15)3-6-13(14)10-1-4-12(20)5-2-10/h1-6,9,20H,7-8H2,(H,19,21)
InChIKeyDRRLVZLWLMUMBG-UHFFFAOYSA-N
XLogP2.81
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]-2,2-diphenylacetohydrazide
CID 135603353
trans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73349388
2-(4-fluorophenyl)-N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]acetohydrazide
CID 135472799
trans-(1R,2R)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135907423
trans-(1R,2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 136254460
US11427553, Example 105
CID 137462735
trans-(1R,2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135726083
trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 135851314
6-(2-Hydroxyphenyl)-2,3,4,5-tetrahydropyridazin-3-one
CID 135731742
3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-7-hydroxy-
CID 3087509
Sebacic bis(4-hydroxybenzylidene)hydrazide
CID 135491094
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
CID 135603220

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 137473665) is 3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2ccc(-c3ccc(O)cc3)c(F)c2)=NN1.
What is the InChIKey of 3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is DRRLVZLWLMUMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-14-9-11(15-7-8-16(21)19-18-15)3-6-13(14)10-1-4-12(20)5-2-10/h1-6,9,20H,7-8H2,(H,19,21).
What are the key properties of 3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 284.29 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137473665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).