6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one

C19H18N2O2 — CID 7662773

IUPAC6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one
SMILESCOc1ccccc1-c1ccc(=O)n(Cc2ccc(C)cc2)n1
InChIInChI=1S/C19H18N2O2/c1-14-7-9-15(10-8-14)13-21-19(22)12-11-17(20-21)16-5-3-4-6-18(16)23-2/h3-12H,13H2,1-2H3
InChIKeyGJBAWGYXELUBOG-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.28
Rot. Bonds4

About 6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one

6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one (PubChem CID 7662773) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one
PubChem CID7662773
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one
SMILESCOc1ccccc1-c1ccc(=O)n(Cc2ccc(C)cc2)n1
InChIInChI=1S/C19H18N2O2/c1-14-7-9-15(10-8-14)13-21-19(22)12-11-17(20-21)16-5-3-4-6-18(16)23-2/h3-12H,13H2,1-2H3
InChIKeyGJBAWGYXELUBOG-UHFFFAOYSA-N
XLogP3.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one?
The IUPAC name of 6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one (CID 7662773) is 6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one is COc1ccccc1-c1ccc(=O)n(Cc2ccc(C)cc2)n1.
What is the InChIKey of 6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one?
The InChIKey is GJBAWGYXELUBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14-7-9-15(10-8-14)13-21-19(22)12-11-17(20-21)16-5-3-4-6-18(16)23-2/h3-12H,13H2,1-2H3.
What are the key properties of 6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one?
6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one has a molecular weight of 306.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 7662773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).