6-(4-chlorophenoxy)-2-(2-hydroxybutyl)pyridazin-3-one

C14H15ClN2O3 — CID 3052587

IUPAC6-(4-chlorophenoxy)-2-(2-hydroxybutyl)pyridazin-3-one
SMILESCCC(O)Cn1nc(Oc2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C14H15ClN2O3/c1-2-11(18)9-17-14(19)8-7-13(16-17)20-12-5-3-10(15)4-6-12/h3-8,11,18H,2,9H2,1H3
InChIKeyZRTQUQRXVQOXMV-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.46
Rot. Bonds5

About 6-(4-chlorophenoxy)-2-(2-hydroxybutyl)pyridazin-3-one

6-(4-chlorophenoxy)-2-(2-hydroxybutyl)pyridazin-3-one (PubChem CID 3052587) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-2-(2-hydroxybutyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-2-(2-hydroxybutyl)pyridazin-3-one
PubChem CID3052587
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name6-(4-chlorophenoxy)-2-(2-hydroxybutyl)pyridazin-3-one
SMILESCCC(O)Cn1nc(Oc2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C14H15ClN2O3/c1-2-11(18)9-17-14(19)8-7-13(16-17)20-12-5-3-10(15)4-6-12/h3-8,11,18H,2,9H2,1H3
InChIKeyZRTQUQRXVQOXMV-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-2-(2-hydroxybutyl)pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenoxy)-2-(2-hydroxybutyl)pyridazin-3-one (CID 3052587) is 6-(4-chlorophenoxy)-2-(2-hydroxybutyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenoxy)-2-(2-hydroxybutyl)pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenoxy)-2-(2-hydroxybutyl)pyridazin-3-one is CCC(O)Cn1nc(Oc2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 6-(4-chlorophenoxy)-2-(2-hydroxybutyl)pyridazin-3-one?
The InChIKey is ZRTQUQRXVQOXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-2-11(18)9-17-14(19)8-7-13(16-17)20-12-5-3-10(15)4-6-12/h3-8,11,18H,2,9H2,1H3.
What are the key properties of 6-(4-chlorophenoxy)-2-(2-hydroxybutyl)pyridazin-3-one?
6-(4-chlorophenoxy)-2-(2-hydroxybutyl)pyridazin-3-one has a molecular weight of 294.74 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-2-(2-hydroxybutyl)pyridazin-3-one is sourced from PubChem (CID 3052587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).