4-(4-butylphenoxy)-1H-pyridazin-6-one

C14H16N2O2 — CID 103241860

IUPAC4-(4-butylphenoxy)-1H-pyridazin-6-one
SMILESCCCCc1ccc(Oc2cn[nH]c(=O)c2)cc1
InChIInChI=1S/C14H16N2O2/c1-2-3-4-11-5-7-12(8-6-11)18-13-9-14(17)16-15-10-13/h5-10H,2-4H2,1H3,(H,16,17)
InChIKeyOLPHJCJANUXBJO-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.90
Rot. Bonds5

About 4-(4-butylphenoxy)-1H-pyridazin-6-one

4-(4-butylphenoxy)-1H-pyridazin-6-one (PubChem CID 103241860) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(4-butylphenoxy)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(4-butylphenoxy)-1H-pyridazin-6-one
PubChem CID103241860
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(4-butylphenoxy)-1H-pyridazin-6-one
SMILESCCCCc1ccc(Oc2cn[nH]c(=O)c2)cc1
InChIInChI=1S/C14H16N2O2/c1-2-3-4-11-5-7-12(8-6-11)18-13-9-14(17)16-15-10-13/h5-10H,2-4H2,1H3,(H,16,17)
InChIKeyOLPHJCJANUXBJO-UHFFFAOYSA-N
XLogP2.90
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one
CID 103241096
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
5-(4-butylphenoxy)-N-methylpyridin-3-amine
CID 104536970
4-(4-propylphenyl)-1H-pyridazin-6-one
CID 106517178
4-(4-butylphenoxy)benzaldehyde
CID 10824839
5-(4-butylphenoxy)-2-methylsulfonylpyridine
CID 163959552
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125
1-butyl-4-phosphorosooxybenzene
CID 66862853
2-(4-butylphenoxy)-5-iodopyrimidine
CID 116649242
4-(2-methylbutoxy)-1H-pyridazin-6-one
CID 73013184
1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane
CID 173283482
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenoxy)-1H-pyridazin-6-one?
The IUPAC name of 4-(4-butylphenoxy)-1H-pyridazin-6-one (CID 103241860) is 4-(4-butylphenoxy)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(4-butylphenoxy)-1H-pyridazin-6-one?
The canonical SMILES for 4-(4-butylphenoxy)-1H-pyridazin-6-one is CCCCc1ccc(Oc2cn[nH]c(=O)c2)cc1.
What is the InChIKey of 4-(4-butylphenoxy)-1H-pyridazin-6-one?
The InChIKey is OLPHJCJANUXBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-3-4-11-5-7-12(8-6-11)18-13-9-14(17)16-15-10-13/h5-10H,2-4H2,1H3,(H,16,17).
What are the key properties of 4-(4-butylphenoxy)-1H-pyridazin-6-one?
4-(4-butylphenoxy)-1H-pyridazin-6-one has a molecular weight of 244.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenoxy)-1H-pyridazin-6-one is sourced from PubChem (CID 103241860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).