2,3-dihydro-1-benzofuran-3-ylboronic acid

C8H9BO3 — CID 66877807

IUPAC2,3-dihydro-1-benzofuran-3-ylboronic acid
SMILESOB(O)C1COc2ccccc21
InChIInChI=1S/C8H9BO3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-4,7,10-11H,5H2
InChIKeyLAKDSRUFQIZIJV-UHFFFAOYSA-N
MW163.97 g/mol
LogP0.17
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-3-ylboronic acid

2,3-dihydro-1-benzofuran-3-ylboronic acid (PubChem CID 66877807) has the molecular formula C8H9BO3 and a molecular weight of 163.97 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-3-ylboronic acid.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-3-ylboronic acid
PubChem CID66877807
Molecular FormulaC8H9BO3
Molecular Weight163.97 g/mol
Exact Mass164.06
IUPAC Name2,3-dihydro-1-benzofuran-3-ylboronic acid
SMILESOB(O)C1COc2ccccc21
InChIInChI=1S/C8H9BO3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-4,7,10-11H,5H2
InChIKeyLAKDSRUFQIZIJV-UHFFFAOYSA-N
XLogP0.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.97
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-dihydro-1-benzofuran-3-ylboronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-1-benzofuran-3-ol
CID 585896
3-iodo-2,3-dihydro-1-benzofuran
CID 154708354
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 45088771
(3R,5R)-3-amino-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446112
3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde
CID 174658679
(3S)-3-tert-butyl-2,3-dihydro-1-benzofuran
CID 129157836
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-3-ylboronic acid?
The IUPAC name of 2,3-dihydro-1-benzofuran-3-ylboronic acid (CID 66877807) is 2,3-dihydro-1-benzofuran-3-ylboronic acid.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-3-ylboronic acid?
The canonical SMILES for 2,3-dihydro-1-benzofuran-3-ylboronic acid is OB(O)C1COc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzofuran-3-ylboronic acid?
The InChIKey is LAKDSRUFQIZIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BO3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-4,7,10-11H,5H2.
What are the key properties of 2,3-dihydro-1-benzofuran-3-ylboronic acid?
2,3-dihydro-1-benzofuran-3-ylboronic acid has a molecular weight of 163.97 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-3-ylboronic acid is sourced from PubChem (CID 66877807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).