3-(1-benzothiophen-7-yl)furan-2-carbaldehyde

C13H8O2S — CID 106886565

IUPAC3-(1-benzothiophen-7-yl)furan-2-carbaldehyde
SMILESO=Cc1occc1-c1cccc2ccsc12
InChIInChI=1S/C13H8O2S/c14-8-12-10(4-6-15-12)11-3-1-2-9-5-7-16-13(9)11/h1-8H
InChIKeyFROFYJQCTBVLBJ-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.97
Rot. Bonds2

About 3-(1-benzothiophen-7-yl)furan-2-carbaldehyde

3-(1-benzothiophen-7-yl)furan-2-carbaldehyde (PubChem CID 106886565) has the molecular formula C13H8O2S and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-(1-benzothiophen-7-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-(1-benzothiophen-7-yl)furan-2-carbaldehyde
PubChem CID106886565
Molecular FormulaC13H8O2S
Molecular Weight228.27 g/mol
Exact Mass228.02
IUPAC Name3-(1-benzothiophen-7-yl)furan-2-carbaldehyde
SMILESO=Cc1occc1-c1cccc2ccsc12
InChIInChI=1S/C13H8O2S/c14-8-12-10(4-6-15-12)11-3-1-2-9-5-7-16-13(9)11/h1-8H
InChIKeyFROFYJQCTBVLBJ-UHFFFAOYSA-N
XLogP3.97
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-7-yl)furan-2-carbaldehyde?
The IUPAC name of 3-(1-benzothiophen-7-yl)furan-2-carbaldehyde (CID 106886565) is 3-(1-benzothiophen-7-yl)furan-2-carbaldehyde.
What is the SMILES notation for 3-(1-benzothiophen-7-yl)furan-2-carbaldehyde?
The canonical SMILES for 3-(1-benzothiophen-7-yl)furan-2-carbaldehyde is O=Cc1occc1-c1cccc2ccsc12.
What is the InChIKey of 3-(1-benzothiophen-7-yl)furan-2-carbaldehyde?
The InChIKey is FROFYJQCTBVLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2S/c14-8-12-10(4-6-15-12)11-3-1-2-9-5-7-16-13(9)11/h1-8H.
What are the key properties of 3-(1-benzothiophen-7-yl)furan-2-carbaldehyde?
3-(1-benzothiophen-7-yl)furan-2-carbaldehyde has a molecular weight of 228.27 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-7-yl)furan-2-carbaldehyde is sourced from PubChem (CID 106886565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).