4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one

C12H12N2O2 — CID 103241096

IUPAC4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one
SMILESCc1ccc(Oc2cn[nH]c(=O)c2)cc1C
InChIInChI=1S/C12H12N2O2/c1-8-3-4-10(5-9(8)2)16-11-6-12(15)14-13-7-11/h3-7H,1-2H3,(H,14,15)
InChIKeyBPFBTMNENUIHSU-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.18
Rot. Bonds2

About 4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one

4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one (PubChem CID 103241096) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one
PubChem CID103241096
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one
SMILESCc1ccc(Oc2cn[nH]c(=O)c2)cc1C
InChIInChI=1S/C12H12N2O2/c1-8-3-4-10(5-9(8)2)16-11-6-12(15)14-13-7-11/h3-7H,1-2H3,(H,14,15)
InChIKeyBPFBTMNENUIHSU-UHFFFAOYSA-N
XLogP2.18
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one
CID 103241265
4-(4-butylphenoxy)-1H-pyridazin-6-one
CID 103241860
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
4-(2,5-difluorophenoxy)-1H-pyridazin-6-one
CID 103241656
[4-(3,4-dimethylphenoxy)phenyl]-dimethylborane
CID 58429995
2-chloro-5-(3,4-dimethylphenoxy)pyridine
CID 82225184
4-(4-bromophenoxy)-1,2-dimethylbenzene
CID 169336658
bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 159619159
4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;2,2,2-trifluoroacetic acid
CID 21195895
CID 59952153
CID 59952153
2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine
CID 113469863
4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide
CID 43436537

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one?
The IUPAC name of 4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one (CID 103241096) is 4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one is Cc1ccc(Oc2cn[nH]c(=O)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one?
The InChIKey is BPFBTMNENUIHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-3-4-10(5-9(8)2)16-11-6-12(15)14-13-7-11/h3-7H,1-2H3,(H,14,15).
What are the key properties of 4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one?
4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one has a molecular weight of 216.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one is sourced from PubChem (CID 103241096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).