3-(1-benzothiophen-3-yl)-1-benzofuran

C16H10OS — CID 90722056

IUPAC3-(1-benzothiophen-3-yl)-1-benzofuran
SMILESc1ccc2c(-c3csc4ccccc34)coc2c1
InChIInChI=1S/C16H10OS/c1-3-7-15-11(5-1)13(9-17-15)14-10-18-16-8-4-2-6-12(14)16/h1-10H
InChIKeyZLSHGUQOBGDIOD-UHFFFAOYSA-N
MW250.32 g/mol
LogP5.31
Rot. Bonds1

About 3-(1-benzothiophen-3-yl)-1-benzofuran

3-(1-benzothiophen-3-yl)-1-benzofuran (PubChem CID 90722056) has the molecular formula C16H10OS and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-1-benzofuran.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-1-benzofuran
PubChem CID90722056
Molecular FormulaC16H10OS
Molecular Weight250.32 g/mol
Exact Mass250.05
IUPAC Name3-(1-benzothiophen-3-yl)-1-benzofuran
SMILESc1ccc2c(-c3csc4ccccc34)coc2c1
InChIInChI=1S/C16H10OS/c1-3-7-15-11(5-1)13(9-17-15)14-10-18-16-8-4-2-6-12(14)16/h1-10H
InChIKeyZLSHGUQOBGDIOD-UHFFFAOYSA-N
XLogP5.31
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.32
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-1-benzofuran?
The IUPAC name of 3-(1-benzothiophen-3-yl)-1-benzofuran (CID 90722056) is 3-(1-benzothiophen-3-yl)-1-benzofuran.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-1-benzofuran?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-1-benzofuran is c1ccc2c(-c3csc4ccccc34)coc2c1.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-1-benzofuran?
The InChIKey is ZLSHGUQOBGDIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10OS/c1-3-7-15-11(5-1)13(9-17-15)14-10-18-16-8-4-2-6-12(14)16/h1-10H.
What are the key properties of 3-(1-benzothiophen-3-yl)-1-benzofuran?
3-(1-benzothiophen-3-yl)-1-benzofuran has a molecular weight of 250.32 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-1-benzofuran is sourced from PubChem (CID 90722056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).