1-benzofuran-2-ylboronic acid

C8H7BO3 — CID 2776266

IUPAC1-benzofuran-2-ylboronic acid
SMILESOB(O)c1cc2ccccc2o1
InChIInChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
InChIKeyPKRRNTJIHGOMRC-UHFFFAOYSA-N
MW161.95 g/mol
LogP0.11
Rot. Bonds1

About 1-benzofuran-2-ylboronic acid

1-benzofuran-2-ylboronic acid (PubChem CID 2776266) has the molecular formula C8H7BO3 and a molecular weight of 161.95 g/mol. Its IUPAC name is 1-benzofuran-2-ylboronic acid.

Molecular Properties

Compound Name1-benzofuran-2-ylboronic acid
PubChem CID2776266
Molecular FormulaC8H7BO3
Molecular Weight161.95 g/mol
Exact Mass162.05
IUPAC Name1-benzofuran-2-ylboronic acid
SMILESOB(O)c1cc2ccccc2o1
InChIInChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
InChIKeyPKRRNTJIHGOMRC-UHFFFAOYSA-N
XLogP0.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.95
LogP ≤ 50.11
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 1-benzofuran-2-ylboronic acid?
The IUPAC name of 1-benzofuran-2-ylboronic acid (CID 2776266) is 1-benzofuran-2-ylboronic acid.
What is the SMILES notation for 1-benzofuran-2-ylboronic acid?
The canonical SMILES for 1-benzofuran-2-ylboronic acid is OB(O)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-ylboronic acid?
The InChIKey is PKRRNTJIHGOMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H.
What are the key properties of 1-benzofuran-2-ylboronic acid?
1-benzofuran-2-ylboronic acid has a molecular weight of 161.95 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-ylboronic acid is sourced from PubChem (CID 2776266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).