3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

C11H12N2O3 — CID 135833413

IUPAC3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cc(C2=NNC(=O)CC2)ccc1O
InChIInChI=1S/C11H12N2O3/c1-16-10-6-7(2-4-9(10)14)8-3-5-11(15)13-12-8/h2,4,6,14H,3,5H2,1H3,(H,13,15)
InChIKeyUMQOILNLVDGCQM-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.01
Rot. Bonds2

About 3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 135833413) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID135833413
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cc(C2=NNC(=O)CC2)ccc1O
InChIInChI=1S/C11H12N2O3/c1-16-10-6-7(2-4-9(10)14)8-3-5-11(15)13-12-8/h2,4,6,14H,3,5H2,1H3,(H,13,15)
InChIKeyUMQOILNLVDGCQM-UHFFFAOYSA-N
XLogP1.01
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 135833413) is 3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is COc1cc(C2=NNC(=O)CC2)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is UMQOILNLVDGCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-16-10-6-7(2-4-9(10)14)8-3-5-11(15)13-12-8/h2,4,6,14H,3,5H2,1H3,(H,13,15).
What are the key properties of 3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 220.23 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 135833413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).