6-(2,6-dichlorophenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one

C14H14Cl2N2O2 — CID 141161894

IUPAC6-(2,6-dichlorophenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one
SMILESCC(C)c1cc(Oc2c(Cl)cccc2Cl)nn(C)c1=O
InChIInChI=1S/C14H14Cl2N2O2/c1-8(2)9-7-12(17-18(3)14(9)19)20-13-10(15)5-4-6-11(13)16/h4-8H,1-3H3
InChIKeyJQFFSHPORPMWHB-UHFFFAOYSA-N
MW313.18 g/mol
LogP4.00
Rot. Bonds3

About 6-(2,6-dichlorophenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one

6-(2,6-dichlorophenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one (PubChem CID 141161894) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 6-(2,6-dichlorophenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one
PubChem CID141161894
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name6-(2,6-dichlorophenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one
SMILESCC(C)c1cc(Oc2c(Cl)cccc2Cl)nn(C)c1=O
InChIInChI=1S/C14H14Cl2N2O2/c1-8(2)9-7-12(17-18(3)14(9)19)20-13-10(15)5-4-6-11(13)16/h4-8H,1-3H3
InChIKeyJQFFSHPORPMWHB-UHFFFAOYSA-N
XLogP4.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-(2,6-dichlorophenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one (CID 141161894) is 6-(2,6-dichlorophenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-(2,6-dichlorophenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-(2,6-dichlorophenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one is CC(C)c1cc(Oc2c(Cl)cccc2Cl)nn(C)c1=O.
What is the InChIKey of 6-(2,6-dichlorophenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one?
The InChIKey is JQFFSHPORPMWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-8(2)9-7-12(17-18(3)14(9)19)20-13-10(15)5-4-6-11(13)16/h4-8H,1-3H3.
What are the key properties of 6-(2,6-dichlorophenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one?
6-(2,6-dichlorophenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one has a molecular weight of 313.18 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 141161894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).