2-benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one

C18H15ClN2O3 — CID 53234167

IUPAC2-benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C18H15ClN2O3/c1-23-14-7-9-15(10-8-14)24-17-16(19)11-20-21(18(17)22)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyIEFNLYQXMGMFMN-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.75
Rot. Bonds5

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

2-benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one (PubChem CID 53234167) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one
PubChem CID53234167
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name2-benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C18H15ClN2O3/c1-23-14-7-9-15(10-8-14)24-17-16(19)11-20-21(18(17)22)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyIEFNLYQXMGMFMN-UHFFFAOYSA-N
XLogP3.75
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one?
The IUPAC name of 2-benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one (CID 53234167) is 2-benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one?
The canonical SMILES for 2-benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one is COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 2-benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one?
The InChIKey is IEFNLYQXMGMFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-23-14-7-9-15(10-8-14)24-17-16(19)11-20-21(18(17)22)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3.
What are the key properties of 2-benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one?
2-benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one has a molecular weight of 342.78 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one is sourced from PubChem (CID 53234167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).