1-(1-benzofuran-2-yl)-1-(2-thiophen-2-ylthiophen-3-yl)ethanol

C18H14O2S2 — CID 58568122

IUPAC1-(1-benzofuran-2-yl)-1-(2-thiophen-2-ylthiophen-3-yl)ethanol
SMILESCC(O)(c1cc2ccccc2o1)c1ccsc1-c1cccs1
InChIInChI=1S/C18H14O2S2/c1-18(19,16-11-12-5-2-3-6-14(12)20-16)13-8-10-22-17(13)15-7-4-9-21-15/h2-11,19H,1H3
InChIKeyNZCFUDFUBAFTQA-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.48
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-1-(2-thiophen-2-ylthiophen-3-yl)ethanol

1-(1-benzofuran-2-yl)-1-(2-thiophen-2-ylthiophen-3-yl)ethanol (PubChem CID 58568122) has the molecular formula C18H14O2S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-1-(2-thiophen-2-ylthiophen-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-1-(2-thiophen-2-ylthiophen-3-yl)ethanol
PubChem CID58568122
Molecular FormulaC18H14O2S2
Molecular Weight326.44 g/mol
Exact Mass326.04
IUPAC Name1-(1-benzofuran-2-yl)-1-(2-thiophen-2-ylthiophen-3-yl)ethanol
SMILESCC(O)(c1cc2ccccc2o1)c1ccsc1-c1cccs1
InChIInChI=1S/C18H14O2S2/c1-18(19,16-11-12-5-2-3-6-14(12)20-16)13-8-10-22-17(13)15-7-4-9-21-15/h2-11,19H,1H3
InChIKeyNZCFUDFUBAFTQA-UHFFFAOYSA-N
XLogP5.48
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-1-(2-thiophen-2-ylthiophen-3-yl)ethanol?
The IUPAC name of 1-(1-benzofuran-2-yl)-1-(2-thiophen-2-ylthiophen-3-yl)ethanol (CID 58568122) is 1-(1-benzofuran-2-yl)-1-(2-thiophen-2-ylthiophen-3-yl)ethanol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-1-(2-thiophen-2-ylthiophen-3-yl)ethanol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-1-(2-thiophen-2-ylthiophen-3-yl)ethanol is CC(O)(c1cc2ccccc2o1)c1ccsc1-c1cccs1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-1-(2-thiophen-2-ylthiophen-3-yl)ethanol?
The InChIKey is NZCFUDFUBAFTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2S2/c1-18(19,16-11-12-5-2-3-6-14(12)20-16)13-8-10-22-17(13)15-7-4-9-21-15/h2-11,19H,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-1-(2-thiophen-2-ylthiophen-3-yl)ethanol?
1-(1-benzofuran-2-yl)-1-(2-thiophen-2-ylthiophen-3-yl)ethanol has a molecular weight of 326.44 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-1-(2-thiophen-2-ylthiophen-3-yl)ethanol is sourced from PubChem (CID 58568122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).