5-bromofuran-2-carbaldehyde;5-cyclopropylfuran-2-carbaldehyde;ethane

C15H17BrO4 — CID 142287511

IUPAC5-bromofuran-2-carbaldehyde;5-cyclopropylfuran-2-carbaldehyde;ethane
SMILESCC.O=Cc1ccc(Br)o1.O=Cc1ccc(C2CC2)o1
InChIInChI=1S/C8H8O2.C5H3BrO2.C2H6/c9-5-7-3-4-8(10-7)6-1-2-6;6-5-2-1-4(3-7)8-5;1-2/h3-6H,1-2H2;1-3H;1-2H3
InChIKeyUFMHQVBSINLHBZ-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.85
Rot. Bonds3

About 5-bromofuran-2-carbaldehyde;5-cyclopropylfuran-2-carbaldehyde;ethane

5-bromofuran-2-carbaldehyde;5-cyclopropylfuran-2-carbaldehyde;ethane (PubChem CID 142287511) has the molecular formula C15H17BrO4 and a molecular weight of 341.20 g/mol. Its IUPAC name is 5-bromofuran-2-carbaldehyde;5-cyclopropylfuran-2-carbaldehyde;ethane.

Molecular Properties

Compound Name5-bromofuran-2-carbaldehyde;5-cyclopropylfuran-2-carbaldehyde;ethane
PubChem CID142287511
Molecular FormulaC15H17BrO4
Molecular Weight341.20 g/mol
Exact Mass340.03
IUPAC Name5-bromofuran-2-carbaldehyde;5-cyclopropylfuran-2-carbaldehyde;ethane
SMILESCC.O=Cc1ccc(Br)o1.O=Cc1ccc(C2CC2)o1
InChIInChI=1S/C8H8O2.C5H3BrO2.C2H6/c9-5-7-3-4-8(10-7)6-1-2-6;6-5-2-1-4(3-7)8-5;1-2/h3-6H,1-2H2;1-3H;1-2H3
InChIKeyUFMHQVBSINLHBZ-UHFFFAOYSA-N
XLogP4.85
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromofuran-2-carbaldehyde;5-cyclopropylfuran-2-carbaldehyde;ethane?
The IUPAC name of 5-bromofuran-2-carbaldehyde;5-cyclopropylfuran-2-carbaldehyde;ethane (CID 142287511) is 5-bromofuran-2-carbaldehyde;5-cyclopropylfuran-2-carbaldehyde;ethane.
What is the SMILES notation for 5-bromofuran-2-carbaldehyde;5-cyclopropylfuran-2-carbaldehyde;ethane?
The canonical SMILES for 5-bromofuran-2-carbaldehyde;5-cyclopropylfuran-2-carbaldehyde;ethane is CC.O=Cc1ccc(Br)o1.O=Cc1ccc(C2CC2)o1.
What is the InChIKey of 5-bromofuran-2-carbaldehyde;5-cyclopropylfuran-2-carbaldehyde;ethane?
The InChIKey is UFMHQVBSINLHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C5H3BrO2.C2H6/c9-5-7-3-4-8(10-7)6-1-2-6;6-5-2-1-4(3-7)8-5;1-2/h3-6H,1-2H2;1-3H;1-2H3.
What are the key properties of 5-bromofuran-2-carbaldehyde;5-cyclopropylfuran-2-carbaldehyde;ethane?
5-bromofuran-2-carbaldehyde;5-cyclopropylfuran-2-carbaldehyde;ethane has a molecular weight of 341.20 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromofuran-2-carbaldehyde;5-cyclopropylfuran-2-carbaldehyde;ethane is sourced from PubChem (CID 142287511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).