5-chloro-4-(4-methoxyphenoxy)-2-phenylpyridazin-3-one

C17H13ClN2O3 — CID 2800329

IUPAC5-chloro-4-(4-methoxyphenoxy)-2-phenylpyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C17H13ClN2O3/c1-22-13-7-9-14(10-8-13)23-16-15(18)11-19-20(17(16)21)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyCDMJYZVKNAEVQP-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.69
Rot. Bonds4

About 5-chloro-4-(4-methoxyphenoxy)-2-phenylpyridazin-3-one

5-chloro-4-(4-methoxyphenoxy)-2-phenylpyridazin-3-one (PubChem CID 2800329) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 5-chloro-4-(4-methoxyphenoxy)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-chloro-4-(4-methoxyphenoxy)-2-phenylpyridazin-3-one
PubChem CID2800329
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name5-chloro-4-(4-methoxyphenoxy)-2-phenylpyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C17H13ClN2O3/c1-22-13-7-9-14(10-8-13)23-16-15(18)11-19-20(17(16)21)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyCDMJYZVKNAEVQP-UHFFFAOYSA-N
XLogP3.69
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dichloro-2-(4-methoxyphenyl)-3(2H)-pyridazinone
CID 2769258
5-Chloro-4-(4-ethylphenoxy)-2-(4-methylphenyl)-3-pyridazinone
CID 46172920
5-Chloro-4-(4-ethoxyphenoxy)-2-(4-methylphenyl)-3-pyridazinone
CID 46172926
5-Chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone
CID 46172935
5-Chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone
CID 46172919
5-chloro-4-(4-methoxyphenoxy)-2-(4-methylphenyl)-3(2H)-pyridazinone
CID 1479652
4-bromo-5-(4-methoxyphenoxy)-2-phenyl-3(2H)-pyridazinone
CID 1480667
2-(4-bromophenyl)-5-chloro-4-(4-methoxyphenoxy)-3(2H)-pyridazinone
CID 1480848
5-bromo-4-(4-methoxyphenoxy)-2-(4-methylphenyl)-3(2H)-pyridazinone
CID 1484423
5-Bromo-4-(4-ethoxyphenoxy)-2-(4-propan-2-ylphenyl)-3-pyridazinone
CID 46172916
2-(4-Tert-butylphenyl)-5-chloranyl-4-(4-methoxyphenoxy)pyridazin-3-one
CID 46172921
5-Chloro-2-m-cumenyl-4-(4-methoxyphenoxy)pyridazin-3-one
CID 46172924

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methoxyphenoxy)-2-phenylpyridazin-3-one?
The IUPAC name of 5-chloro-4-(4-methoxyphenoxy)-2-phenylpyridazin-3-one (CID 2800329) is 5-chloro-4-(4-methoxyphenoxy)-2-phenylpyridazin-3-one.
What is the SMILES notation for 5-chloro-4-(4-methoxyphenoxy)-2-phenylpyridazin-3-one?
The canonical SMILES for 5-chloro-4-(4-methoxyphenoxy)-2-phenylpyridazin-3-one is COc1ccc(Oc2c(Cl)cnn(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 5-chloro-4-(4-methoxyphenoxy)-2-phenylpyridazin-3-one?
The InChIKey is CDMJYZVKNAEVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-22-13-7-9-14(10-8-13)23-16-15(18)11-19-20(17(16)21)12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of 5-chloro-4-(4-methoxyphenoxy)-2-phenylpyridazin-3-one?
5-chloro-4-(4-methoxyphenoxy)-2-phenylpyridazin-3-one has a molecular weight of 328.76 g/mol, XLogP of 3.69, 4 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-phenylpyridazin-3-one is sourced from PubChem (CID 2800329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).