1-benzofuran-7-yloxyboronic acid

C8H7BO4 — CID 171573912

IUPAC1-benzofuran-7-yloxyboronic acid
SMILESOB(O)Oc1cccc2ccoc12
InChIInChI=1S/C8H7BO4/c10-9(11)13-7-3-1-2-6-4-5-12-8(6)7/h1-5,10-11H
InChIKeyNGKBZNFPVIMUSE-UHFFFAOYSA-N
MW177.95 g/mol
LogP0.78
Rot. Bonds2

About 1-benzofuran-7-yloxyboronic acid

1-benzofuran-7-yloxyboronic acid (PubChem CID 171573912) has the molecular formula C8H7BO4 and a molecular weight of 177.95 g/mol. Its IUPAC name is 1-benzofuran-7-yloxyboronic acid.

Molecular Properties

Compound Name1-benzofuran-7-yloxyboronic acid
PubChem CID171573912
Molecular FormulaC8H7BO4
Molecular Weight177.95 g/mol
Exact Mass178.04
IUPAC Name1-benzofuran-7-yloxyboronic acid
SMILESOB(O)Oc1cccc2ccoc12
InChIInChI=1S/C8H7BO4/c10-9(11)13-7-3-1-2-6-4-5-12-8(6)7/h1-5,10-11H
InChIKeyNGKBZNFPVIMUSE-UHFFFAOYSA-N
XLogP0.78
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.95
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-7-yloxyboronic acid?
The IUPAC name of 1-benzofuran-7-yloxyboronic acid (CID 171573912) is 1-benzofuran-7-yloxyboronic acid.
What is the SMILES notation for 1-benzofuran-7-yloxyboronic acid?
The canonical SMILES for 1-benzofuran-7-yloxyboronic acid is OB(O)Oc1cccc2ccoc12.
What is the InChIKey of 1-benzofuran-7-yloxyboronic acid?
The InChIKey is NGKBZNFPVIMUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BO4/c10-9(11)13-7-3-1-2-6-4-5-12-8(6)7/h1-5,10-11H.
What are the key properties of 1-benzofuran-7-yloxyboronic acid?
1-benzofuran-7-yloxyboronic acid has a molecular weight of 177.95 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-7-yloxyboronic acid is sourced from PubChem (CID 171573912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).