4-(3-hydroxy-4-methylphenyl)-1H-pyridazin-6-one

C11H10N2O2 — CID 147507919

IUPAC4-(3-hydroxy-4-methylphenyl)-1H-pyridazin-6-one
SMILESCc1ccc(-c2cn[nH]c(=O)c2)cc1O
InChIInChI=1S/C11H10N2O2/c1-7-2-3-8(4-10(7)14)9-5-11(15)13-12-6-9/h2-6,14H,1H3,(H,13,15)
InChIKeyFISACHUFVFEOTC-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.45
Rot. Bonds1

About 4-(3-hydroxy-4-methylphenyl)-1H-pyridazin-6-one

4-(3-hydroxy-4-methylphenyl)-1H-pyridazin-6-one (PubChem CID 147507919) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methylphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(3-hydroxy-4-methylphenyl)-1H-pyridazin-6-one
PubChem CID147507919
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-(3-hydroxy-4-methylphenyl)-1H-pyridazin-6-one
SMILESCc1ccc(-c2cn[nH]c(=O)c2)cc1O
InChIInChI=1S/C11H10N2O2/c1-7-2-3-8(4-10(7)14)9-5-11(15)13-12-6-9/h2-6,14H,1H3,(H,13,15)
InChIKeyFISACHUFVFEOTC-UHFFFAOYSA-N
XLogP1.45
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methylphenyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(3-hydroxy-4-methylphenyl)-1H-pyridazin-6-one (CID 147507919) is 4-(3-hydroxy-4-methylphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(3-hydroxy-4-methylphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(3-hydroxy-4-methylphenyl)-1H-pyridazin-6-one is Cc1ccc(-c2cn[nH]c(=O)c2)cc1O.
What is the InChIKey of 4-(3-hydroxy-4-methylphenyl)-1H-pyridazin-6-one?
The InChIKey is FISACHUFVFEOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-2-3-8(4-10(7)14)9-5-11(15)13-12-6-9/h2-6,14H,1H3,(H,13,15).
What are the key properties of 4-(3-hydroxy-4-methylphenyl)-1H-pyridazin-6-one?
4-(3-hydroxy-4-methylphenyl)-1H-pyridazin-6-one has a molecular weight of 202.21 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methylphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 147507919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).