2-(1-benzothiophen-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol

C15H14N2O2S — CID 103373528

IUPAC2-(1-benzothiophen-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2csc3ccccc23)nn1
InChIInChI=1S/C15H14N2O2S/c1-19-15-7-6-12(16-17-15)13(18)8-10-9-20-14-5-3-2-4-11(10)14/h2-7,9,13,18H,8H2,1H3
InChIKeyIVKGJLOAHPJLDS-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.98
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol

2-(1-benzothiophen-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol (PubChem CID 103373528) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol
PubChem CID103373528
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-(1-benzothiophen-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2csc3ccccc23)nn1
InChIInChI=1S/C15H14N2O2S/c1-19-15-7-6-12(16-17-15)13(18)8-10-9-20-14-5-3-2-4-11(10)14/h2-7,9,13,18H,8H2,1H3
InChIKeyIVKGJLOAHPJLDS-UHFFFAOYSA-N
XLogP2.98
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine
CID 46944763
3-(3-Fluoropropoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine
CID 46944764
3-[6-(2-Fluoroethoxy)-1-benzothiophen-2-yl]-6-methoxypyridazine
CID 46944765
3-[6-(3-Fluoropropoxy)-1-benzothiophen-2-yl]-6-methoxypyridazine
CID 46944769
3-Methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine
CID 59536222
3-(6-Butoxy-1-benzothiophen-2-yl)-6-methoxypyridazine
CID 59536230
3-(4-Methoxyphenyl)-6-thiophen-3-ylpyridazine
CID 89508741
(6-Methoxypyridazin-3-yl)-(3-methylthiophen-2-yl)methanol
CID 103373402
1-Benzothiophen-7-yl-(6-methoxypyridazin-3-yl)methanol
CID 103373409
(6-Methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol
CID 103373441
2-(5-Ethylthiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373458
1-(6-Methoxypyridazin-3-yl)-2-thiophen-3-ylethanol
CID 103373460

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol (CID 103373528) is 2-(1-benzothiophen-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol is COc1ccc(C(O)Cc2csc3ccccc23)nn1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol?
The InChIKey is IVKGJLOAHPJLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-19-15-7-6-12(16-17-15)13(18)8-10-9-20-14-5-3-2-4-11(10)14/h2-7,9,13,18H,8H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol?
2-(1-benzothiophen-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol has a molecular weight of 286.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol is sourced from PubChem (CID 103373528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).