5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one

C19H17ClN2O3 — CID 50904508

IUPAC5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one
SMILESCOc1cccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)c1
InChIInChI=1S/C19H17ClN2O3/c1-12-7-13(2)9-14(8-12)22-19(23)18(17(20)11-21-22)25-16-6-4-5-15(10-16)24-3/h4-11H,1-3H3
InChIKeyXPABCKAZXJUDRF-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.30
Rot. Bonds4

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

5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one (PubChem CID 50904508) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one
PubChem CID50904508
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one
SMILESCOc1cccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)c1
InChIInChI=1S/C19H17ClN2O3/c1-12-7-13(2)9-14(8-12)22-19(23)18(17(20)11-21-22)25-16-6-4-5-15(10-16)24-3/h4-11H,1-3H3
InChIKeyXPABCKAZXJUDRF-UHFFFAOYSA-N
XLogP4.30
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one (CID 50904508) is 5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one is COc1cccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)c1.
What is the InChIKey of 5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one?
The InChIKey is XPABCKAZXJUDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-12-7-13(2)9-14(8-12)22-19(23)18(17(20)11-21-22)25-16-6-4-5-15(10-16)24-3/h4-11H,1-3H3.
What are the key properties of 5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one?
5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one has a molecular weight of 356.81 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one is sourced from PubChem (CID 50904508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).