1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol

C15H13FO2S — CID 114910683

IUPAC1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(C)(O)c2cc3cccc(F)c3o2)s1
InChIInChI=1S/C15H13FO2S/c1-9-6-7-13(19-9)15(2,17)12-8-10-4-3-5-11(16)14(10)18-12/h3-8,17H,1-2H3
InChIKeyCZSMIQXEFDXZSU-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.20
Rot. Bonds2

About 1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol

1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol (PubChem CID 114910683) has the molecular formula C15H13FO2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol
PubChem CID114910683
Molecular FormulaC15H13FO2S
Molecular Weight276.33 g/mol
Exact Mass276.06
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(C)(O)c2cc3cccc(F)c3o2)s1
InChIInChI=1S/C15H13FO2S/c1-9-6-7-13(19-9)15(2,17)12-8-10-4-3-5-11(16)14(10)18-12/h3-8,17H,1-2H3
InChIKeyCZSMIQXEFDXZSU-UHFFFAOYSA-N
XLogP4.20
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol (CID 114910683) is 1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol is Cc1ccc(C(C)(O)c2cc3cccc(F)c3o2)s1.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol?
The InChIKey is CZSMIQXEFDXZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2S/c1-9-6-7-13(19-9)15(2,17)12-8-10-4-3-5-11(16)14(10)18-12/h3-8,17H,1-2H3.
What are the key properties of 1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol?
1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol has a molecular weight of 276.33 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 114910683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).