3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one

C13H12Cl2N2O2 — CID 141161888

IUPAC3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1cc(Oc2c(Cl)cccc2Cl)n[nH]c1=O
InChIInChI=1S/C13H12Cl2N2O2/c1-7(2)8-6-11(16-17-13(8)18)19-12-9(14)4-3-5-10(12)15/h3-7H,1-2H3,(H,17,18)
InChIKeyQNYJFMHNRVZNLX-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.99
Rot. Bonds3

About 3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one

3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one (PubChem CID 141161888) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one
PubChem CID141161888
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1cc(Oc2c(Cl)cccc2Cl)n[nH]c1=O
InChIInChI=1S/C13H12Cl2N2O2/c1-7(2)8-6-11(16-17-13(8)18)19-12-9(14)4-3-5-10(12)15/h3-7H,1-2H3,(H,17,18)
InChIKeyQNYJFMHNRVZNLX-UHFFFAOYSA-N
XLogP3.99
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one?
The IUPAC name of 3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one (CID 141161888) is 3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one is CC(C)c1cc(Oc2c(Cl)cccc2Cl)n[nH]c1=O.
What is the InChIKey of 3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one?
The InChIKey is QNYJFMHNRVZNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-7(2)8-6-11(16-17-13(8)18)19-12-9(14)4-3-5-10(12)15/h3-7H,1-2H3,(H,17,18).
What are the key properties of 3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one?
3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one has a molecular weight of 299.16 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 141161888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).