5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one

C18H16N2O3 — CID 126961716

IUPAC5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one
SMILESCOc1cc(=O)n(C)nc1-c1ccccc1Oc1ccccc1
InChIInChI=1S/C18H16N2O3/c1-20-17(21)12-16(22-2)18(19-20)14-10-6-7-11-15(14)23-13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyMDTCYTNEBYQKFC-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.25
Rot. Bonds4

About 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one

5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one (PubChem CID 126961716) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one
PubChem CID126961716
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one
SMILESCOc1cc(=O)n(C)nc1-c1ccccc1Oc1ccccc1
InChIInChI=1S/C18H16N2O3/c1-20-17(21)12-16(22-2)18(19-20)14-10-6-7-11-15(14)23-13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyMDTCYTNEBYQKFC-UHFFFAOYSA-N
XLogP3.25
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one?
The IUPAC name of 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one (CID 126961716) is 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one?
The canonical SMILES for 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one is COc1cc(=O)n(C)nc1-c1ccccc1Oc1ccccc1.
What is the InChIKey of 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one?
The InChIKey is MDTCYTNEBYQKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-20-17(21)12-16(22-2)18(19-20)14-10-6-7-11-15(14)23-13-8-4-3-5-9-13/h3-12H,1-2H3.
What are the key properties of 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one?
5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one has a molecular weight of 308.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 126961716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).