5-chloro-4-(4-ethylphenoxy)-2-(4-methylphenyl)pyridazin-3-one

C19H17ClN2O2 — CID 46172920

IUPAC5-chloro-4-(4-ethylphenoxy)-2-(4-methylphenyl)pyridazin-3-one
SMILESCCc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C19H17ClN2O2/c1-3-14-6-10-16(11-7-14)24-18-17(20)12-21-22(19(18)23)15-8-4-13(2)5-9-15/h4-12H,3H2,1-2H3
InChIKeyFPOISEYHNOEDPU-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.55
Rot. Bonds4

About 5-chloro-4-(4-ethylphenoxy)-2-(4-methylphenyl)pyridazin-3-one

5-chloro-4-(4-ethylphenoxy)-2-(4-methylphenyl)pyridazin-3-one (PubChem CID 46172920) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 5-chloro-4-(4-ethylphenoxy)-2-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-4-(4-ethylphenoxy)-2-(4-methylphenyl)pyridazin-3-one
PubChem CID46172920
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name5-chloro-4-(4-ethylphenoxy)-2-(4-methylphenyl)pyridazin-3-one
SMILESCCc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C19H17ClN2O2/c1-3-14-6-10-16(11-7-14)24-18-17(20)12-21-22(19(18)23)15-8-4-13(2)5-9-15/h4-12H,3H2,1-2H3
InChIKeyFPOISEYHNOEDPU-UHFFFAOYSA-N
XLogP4.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.55
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-ethylphenoxy)-2-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 5-chloro-4-(4-ethylphenoxy)-2-(4-methylphenyl)pyridazin-3-one (CID 46172920) is 5-chloro-4-(4-ethylphenoxy)-2-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 5-chloro-4-(4-ethylphenoxy)-2-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 5-chloro-4-(4-ethylphenoxy)-2-(4-methylphenyl)pyridazin-3-one is CCc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of 5-chloro-4-(4-ethylphenoxy)-2-(4-methylphenyl)pyridazin-3-one?
The InChIKey is FPOISEYHNOEDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-3-14-6-10-16(11-7-14)24-18-17(20)12-21-22(19(18)23)15-8-4-13(2)5-9-15/h4-12H,3H2,1-2H3.
What are the key properties of 5-chloro-4-(4-ethylphenoxy)-2-(4-methylphenyl)pyridazin-3-one?
5-chloro-4-(4-ethylphenoxy)-2-(4-methylphenyl)pyridazin-3-one has a molecular weight of 340.81 g/mol, XLogP of 4.55, 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-ethylphenoxy)-2-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 46172920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).