5-chloro-4-(4-methoxyphenoxy)-2-(3-propan-2-ylphenyl)pyridazin-3-one

C20H19ClN2O3 — CID 46172924

IUPAC5-chloro-4-(4-methoxyphenoxy)-2-(3-propan-2-ylphenyl)pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(-c3cccc(C(C)C)c3)c2=O)cc1
InChIInChI=1S/C20H19ClN2O3/c1-13(2)14-5-4-6-15(11-14)23-20(24)19(18(21)12-22-23)26-17-9-7-16(25-3)8-10-17/h4-13H,1-3H3
InChIKeyBFZMZQCRZNOAGD-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.81
Rot. Bonds5

About 5-chloro-4-(4-methoxyphenoxy)-2-(3-propan-2-ylphenyl)pyridazin-3-one

5-chloro-4-(4-methoxyphenoxy)-2-(3-propan-2-ylphenyl)pyridazin-3-one (PubChem CID 46172924) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-chloro-4-(4-methoxyphenoxy)-2-(3-propan-2-ylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-4-(4-methoxyphenoxy)-2-(3-propan-2-ylphenyl)pyridazin-3-one
PubChem CID46172924
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name5-chloro-4-(4-methoxyphenoxy)-2-(3-propan-2-ylphenyl)pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(-c3cccc(C(C)C)c3)c2=O)cc1
InChIInChI=1S/C20H19ClN2O3/c1-13(2)14-5-4-6-15(11-14)23-20(24)19(18(21)12-22-23)26-17-9-7-16(25-3)8-10-17/h4-13H,1-3H3
InChIKeyBFZMZQCRZNOAGD-UHFFFAOYSA-N
XLogP4.81
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methoxyphenoxy)-2-(3-propan-2-ylphenyl)pyridazin-3-one?
The IUPAC name of 5-chloro-4-(4-methoxyphenoxy)-2-(3-propan-2-ylphenyl)pyridazin-3-one (CID 46172924) is 5-chloro-4-(4-methoxyphenoxy)-2-(3-propan-2-ylphenyl)pyridazin-3-one.
What is the SMILES notation for 5-chloro-4-(4-methoxyphenoxy)-2-(3-propan-2-ylphenyl)pyridazin-3-one?
The canonical SMILES for 5-chloro-4-(4-methoxyphenoxy)-2-(3-propan-2-ylphenyl)pyridazin-3-one is COc1ccc(Oc2c(Cl)cnn(-c3cccc(C(C)C)c3)c2=O)cc1.
What is the InChIKey of 5-chloro-4-(4-methoxyphenoxy)-2-(3-propan-2-ylphenyl)pyridazin-3-one?
The InChIKey is BFZMZQCRZNOAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-13(2)14-5-4-6-15(11-14)23-20(24)19(18(21)12-22-23)26-17-9-7-16(25-3)8-10-17/h4-13H,1-3H3.
What are the key properties of 5-chloro-4-(4-methoxyphenoxy)-2-(3-propan-2-ylphenyl)pyridazin-3-one?
5-chloro-4-(4-methoxyphenoxy)-2-(3-propan-2-ylphenyl)pyridazin-3-one has a molecular weight of 370.84 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methoxyphenoxy)-2-(3-propan-2-ylphenyl)pyridazin-3-one is sourced from PubChem (CID 46172924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).