5-(2-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one

C23H18N2O2 — CID 12688528

IUPAC5-(2-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one
SMILESCOc1ccccc1-c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C23H18N2O2/c1-27-19-15-9-8-14-18(19)21-20(16-10-4-2-5-11-16)22(24-25-23(21)26)17-12-6-3-7-13-17/h2-15H,1H3,(H,25,26)
InChIKeyFEUHPIODKZZXRH-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.78
Rot. Bonds4

About 5-(2-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one

5-(2-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one (PubChem CID 12688528) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one
PubChem CID12688528
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name5-(2-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one
SMILESCOc1ccccc1-c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C23H18N2O2/c1-27-19-15-9-8-14-18(19)21-20(16-10-4-2-5-11-16)22(24-25-23(21)26)17-12-6-3-7-13-17/h2-15H,1H3,(H,25,26)
InChIKeyFEUHPIODKZZXRH-UHFFFAOYSA-N
XLogP4.78
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one?
The IUPAC name of 5-(2-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one (CID 12688528) is 5-(2-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(2-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(2-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one is COc1ccccc1-c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O.
What is the InChIKey of 5-(2-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one?
The InChIKey is FEUHPIODKZZXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-27-19-15-9-8-14-18(19)21-20(16-10-4-2-5-11-16)22(24-25-23(21)26)17-12-6-3-7-13-17/h2-15H,1H3,(H,25,26).
What are the key properties of 5-(2-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one?
5-(2-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one has a molecular weight of 354.41 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one is sourced from PubChem (CID 12688528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).