3-furo[2,3-f][1]benzofuran-4-ylpropanal

C13H10O3 — CID 115010222

IUPAC3-furo[2,3-f][1]benzofuran-4-ylpropanal
SMILESO=CCCc1c2ccoc2cc2ccoc12
InChIInChI=1S/C13H10O3/c14-5-1-2-11-10-4-7-15-12(10)8-9-3-6-16-13(9)11/h3-8H,1-2H2
InChIKeyWLGWYGHQOVLFSY-UHFFFAOYSA-N
MW214.22 g/mol
LogP3.31
Rot. Bonds3

About 3-furo[2,3-f][1]benzofuran-4-ylpropanal

3-furo[2,3-f][1]benzofuran-4-ylpropanal (PubChem CID 115010222) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-furo[2,3-f][1]benzofuran-4-ylpropanal.

Molecular Properties

Compound Name3-furo[2,3-f][1]benzofuran-4-ylpropanal
PubChem CID115010222
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name3-furo[2,3-f][1]benzofuran-4-ylpropanal
SMILESO=CCCc1c2ccoc2cc2ccoc12
InChIInChI=1S/C13H10O3/c14-5-1-2-11-10-4-7-15-12(10)8-9-3-6-16-13(9)11/h3-8H,1-2H2
InChIKeyWLGWYGHQOVLFSY-UHFFFAOYSA-N
XLogP3.31
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 53.31
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-furo[2,3-f][1]benzofuran-4-ylpropanal?
The IUPAC name of 3-furo[2,3-f][1]benzofuran-4-ylpropanal (CID 115010222) is 3-furo[2,3-f][1]benzofuran-4-ylpropanal.
What is the SMILES notation for 3-furo[2,3-f][1]benzofuran-4-ylpropanal?
The canonical SMILES for 3-furo[2,3-f][1]benzofuran-4-ylpropanal is O=CCCc1c2ccoc2cc2ccoc12.
What is the InChIKey of 3-furo[2,3-f][1]benzofuran-4-ylpropanal?
The InChIKey is WLGWYGHQOVLFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-5-1-2-11-10-4-7-15-12(10)8-9-3-6-16-13(9)11/h3-8H,1-2H2.
What are the key properties of 3-furo[2,3-f][1]benzofuran-4-ylpropanal?
3-furo[2,3-f][1]benzofuran-4-ylpropanal has a molecular weight of 214.22 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-furo[2,3-f][1]benzofuran-4-ylpropanal is sourced from PubChem (CID 115010222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).