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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Related Compounds

[3,5-Dichloro-4-(5-isopropyl-6-oxo-1,6-dihydro-pyridazin-3-yloxy)-phenyl]-acetic acid
CID 15981207
6-(4-Amino-2,6-dichlorophenoxy)-4-(1-methylethyl)-3(2H)-pyridazinone
CID 59834460
[3,5-Dichloro-2-fluoro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]boronic acid
CID 153482951
6-(2,6-Dichloro-3-fluorophenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one
CID 158429433
4-(2,4-dichlorophenoxy)-N'-(5-isopropenyl-2-methylcyclohex-2-en-1-ylidene)butanohydrazide
CID 5773786
3-[[4-chloro-3-(2-chlorophenoxy)phenyl]methyl]-5-propan-2-yl-1H-pyridazin-6-one
CID 18440214
6-(2-Chlorophenoxy)-3-pyridazinone
CID 20351304
6-(4-allyloxy-3,5-dichlorophenyl)-3(2H)pyridazinone
CID 21406361
3-(3,5-dichloro-4-ethoxyphenyl)-1H-pyridazin-6-one
CID 54186245
3-(4-chlorophenoxy)-5-(2-oxopropyl)-1H-pyridazin-6-one
CID 54281481
2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenoxy]acetic acid
CID 59834505
Acetic acid 2-[3,5-dichloro-4-(5-isopropyl-6-oxo-1,6-dihydro-pyridazin-3-yloxy)-phenyl]-ethyl ester
CID 59834524

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).