furan-3-ylboronic acid

C4H5BO3 — CID 2734358

IUPACfuran-3-ylboronic acid
SMILESOB(O)c1ccoc1
InChIInChI=1S/C4H5BO3/c6-5(7)4-1-2-8-3-4/h1-3,6-7H
InChIKeyCYEFKCRAAGLNHW-UHFFFAOYSA-N
MW111.89 g/mol
LogP-1.04
Rot. Bonds1

About furan-3-ylboronic acid

furan-3-ylboronic acid (PubChem CID 2734358) has the molecular formula C4H5BO3 and a molecular weight of 111.89 g/mol. Its IUPAC name is furan-3-ylboronic acid.

Molecular Properties

Compound Namefuran-3-ylboronic acid
PubChem CID2734358
Molecular FormulaC4H5BO3
Molecular Weight111.89 g/mol
Exact Mass112.03
IUPAC Namefuran-3-ylboronic acid
SMILESOB(O)c1ccoc1
InChIInChI=1S/C4H5BO3/c6-5(7)4-1-2-8-3-4/h1-3,6-7H
InChIKeyCYEFKCRAAGLNHW-UHFFFAOYSA-N
XLogP-1.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.89
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of furan-3-ylboronic acid?
The IUPAC name of furan-3-ylboronic acid (CID 2734358) is furan-3-ylboronic acid.
What is the SMILES notation for furan-3-ylboronic acid?
The canonical SMILES for furan-3-ylboronic acid is OB(O)c1ccoc1.
What is the InChIKey of furan-3-ylboronic acid?
The InChIKey is CYEFKCRAAGLNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BO3/c6-5(7)4-1-2-8-3-4/h1-3,6-7H.
What are the key properties of furan-3-ylboronic acid?
furan-3-ylboronic acid has a molecular weight of 111.89 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylboronic acid is sourced from PubChem (CID 2734358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).