2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol

C14H16N2O — CID 105120710

IUPAC2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol
SMILESCc1cccc(C)c1CC(O)c1ccnnc1
InChIInChI=1S/C14H16N2O/c1-10-4-3-5-11(2)13(10)8-14(17)12-6-7-15-16-9-12/h3-7,9,14,17H,8H2,1-2H3
InChIKeyVOOAOPUIHBVUFS-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.37
Rot. Bonds3

About 2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol

2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol (PubChem CID 105120710) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol
PubChem CID105120710
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol
SMILESCc1cccc(C)c1CC(O)c1ccnnc1
InChIInChI=1S/C14H16N2O/c1-10-4-3-5-11(2)13(10)8-14(17)12-6-7-15-16-9-12/h3-7,9,14,17H,8H2,1-2H3
InChIKeyVOOAOPUIHBVUFS-UHFFFAOYSA-N
XLogP2.37
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridazin-4-ylnonan-1-ol
CID 105085715
2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572665
2-(2,5-dichlorophenyl)-1-pyridazin-4-ylethanol
CID 105100348
2-(2,5-difluorophenyl)-1-pyridazin-4-ylethanol
CID 105081030
2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol
CID 105107071
2-(2-methylphenyl)-1-pyridin-4-ylethanol
CID 60797615
[2-(2,6-dichlorophenyl)-1-pyridazin-4-ylethyl]hydrazine
CID 105293146
3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol
CID 114983817
(4-methyl-3-pyridinyl)-pyridazin-4-ylmethanol
CID 105110785
2-(2,6-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103129126
2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 115828418
(4-fluoro-2-methylphenyl)-pyridazin-4-ylmethanol
CID 105093809

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol (CID 105120710) is 2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol is Cc1cccc(C)c1CC(O)c1ccnnc1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol?
The InChIKey is VOOAOPUIHBVUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-4-3-5-11(2)13(10)8-14(17)12-6-7-15-16-9-12/h3-7,9,14,17H,8H2,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol?
2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol has a molecular weight of 228.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol is sourced from PubChem (CID 105120710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).