5-bromo-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one

C18H15BrN2O3 — CID 1484423

IUPAC5-bromo-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one
SMILESCOc1ccc(Oc2c(Br)cnn(-c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C18H15BrN2O3/c1-12-3-5-13(6-4-12)21-18(22)17(16(19)11-20-21)24-15-9-7-14(23-2)8-10-15/h3-11H,1-2H3
InChIKeyLWAGHCYADNPQJD-UHFFFAOYSA-N
MW387.23 g/mol
LogP4.10
Rot. Bonds4

About 5-bromo-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one

5-bromo-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one (PubChem CID 1484423) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is 5-bromo-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-bromo-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one
PubChem CID1484423
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name5-bromo-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one
SMILESCOc1ccc(Oc2c(Br)cnn(-c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C18H15BrN2O3/c1-12-3-5-13(6-4-12)21-18(22)17(16(19)11-20-21)24-15-9-7-14(23-2)8-10-15/h3-11H,1-2H3
InChIKeyLWAGHCYADNPQJD-UHFFFAOYSA-N
XLogP4.10
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 5-bromo-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one (CID 1484423) is 5-bromo-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 5-bromo-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 5-bromo-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one is COc1ccc(Oc2c(Br)cnn(-c3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of 5-bromo-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one?
The InChIKey is LWAGHCYADNPQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c1-12-3-5-13(6-4-12)21-18(22)17(16(19)11-20-21)24-15-9-7-14(23-2)8-10-15/h3-11H,1-2H3.
What are the key properties of 5-bromo-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one?
5-bromo-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one has a molecular weight of 387.23 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 1484423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).