3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

C17H15FN2O3 — CID 137473956

IUPAC3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(O)cc1-c1ccc(C2=NNC(=O)CC2)cc1F
InChIInChI=1S/C17H15FN2O3/c1-23-16-6-3-11(21)9-13(16)12-4-2-10(8-14(12)18)15-5-7-17(22)20-19-15/h2-4,6,8-9,21H,5,7H2,1H3,(H,20,22)
InChIKeyWOVSQZSCWJOPJG-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.82
Rot. Bonds3

About 3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137473956) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137473956
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(O)cc1-c1ccc(C2=NNC(=O)CC2)cc1F
InChIInChI=1S/C17H15FN2O3/c1-23-16-6-3-11(21)9-13(16)12-4-2-10(8-14(12)18)15-5-7-17(22)20-19-15/h2-4,6,8-9,21H,5,7H2,1H3,(H,20,22)
InChIKeyWOVSQZSCWJOPJG-UHFFFAOYSA-N
XLogP2.82
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 137473956) is 3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is COc1ccc(O)cc1-c1ccc(C2=NNC(=O)CC2)cc1F.
What is the InChIKey of 3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is WOVSQZSCWJOPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-23-16-6-3-11(21)9-13(16)12-4-2-10(8-14(12)18)15-5-7-17(22)20-19-15/h2-4,6,8-9,21H,5,7H2,1H3,(H,20,22).
What are the key properties of 3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 314.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137473956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).