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

C19H16Cl2N2O2 — CID 46172932

IUPAC5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one
SMILESCC(C)c1ccc(-n2ncc(Cl)c(Oc3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C19H16Cl2N2O2/c1-12(2)13-3-7-15(8-4-13)23-19(24)18(17(21)11-22-23)25-16-9-5-14(20)6-10-16/h3-12H,1-2H3
InChIKeyCJWGCKWFQNORJC-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.45
Rot. Bonds4

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

5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one (PubChem CID 46172932) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one
PubChem CID46172932
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one
SMILESCC(C)c1ccc(-n2ncc(Cl)c(Oc3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C19H16Cl2N2O2/c1-12(2)13-3-7-15(8-4-13)23-19(24)18(17(21)11-22-23)25-16-9-5-14(20)6-10-16/h3-12H,1-2H3
InChIKeyCJWGCKWFQNORJC-UHFFFAOYSA-N
XLogP5.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one?
The IUPAC name of 5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one (CID 46172932) is 5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one.
What is the SMILES notation for 5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one?
The canonical SMILES for 5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one is CC(C)c1ccc(-n2ncc(Cl)c(Oc3ccc(Cl)cc3)c2=O)cc1.
What is the InChIKey of 5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one?
The InChIKey is CJWGCKWFQNORJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-12(2)13-3-7-15(8-4-13)23-19(24)18(17(21)11-22-23)25-16-9-5-14(20)6-10-16/h3-12H,1-2H3.
What are the key properties of 5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one?
5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one has a molecular weight of 375.26 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one is sourced from PubChem (CID 46172932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).