benzo[g][1]benzofuran-4-ylboronic acid

C12H9BO3 — CID 171854414

IUPACbenzo[g][1]benzofuran-4-ylboronic acid
SMILESOB(O)c1cc2ccccc2c2occc12
InChIInChI=1S/C12H9BO3/c14-13(15)11-7-8-3-1-2-4-9(8)12-10(11)5-6-16-12/h1-7,14-15H
InChIKeyKROUPGAEQIJOFC-UHFFFAOYSA-N
MW212.01 g/mol
LogP1.27
Rot. Bonds1

About benzo[g][1]benzofuran-4-ylboronic acid

benzo[g][1]benzofuran-4-ylboronic acid (PubChem CID 171854414) has the molecular formula C12H9BO3 and a molecular weight of 212.01 g/mol. Its IUPAC name is benzo[g][1]benzofuran-4-ylboronic acid.

Molecular Properties

Compound Namebenzo[g][1]benzofuran-4-ylboronic acid
PubChem CID171854414
Molecular FormulaC12H9BO3
Molecular Weight212.01 g/mol
Exact Mass212.06
IUPAC Namebenzo[g][1]benzofuran-4-ylboronic acid
SMILESOB(O)c1cc2ccccc2c2occc12
InChIInChI=1S/C12H9BO3/c14-13(15)11-7-8-3-1-2-4-9(8)12-10(11)5-6-16-12/h1-7,14-15H
InChIKeyKROUPGAEQIJOFC-UHFFFAOYSA-N
XLogP1.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.01
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chlorobenzo[g][1]benzofuran
CID 176753824
phenanthren-9-ylboronic acid
CID 158011086
4-cyclopropylbenzo[g][1]benzofuran
CID 25258209
benzo[e][1]benzofuran-4-carbaldehyde
CID 102499967
12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-ylboronic acid
CID 153454258
naphtho[1,2-g][1]benzofuran-11-carbaldehyde
CID 14770244
(8-chlorophenanthren-9-yl)boronic acid
CID 176907492
ethyl benzo[e][1]benzofuran-4-carboxylate
CID 139258571
4-(diethoxymethyl)benzo[e][1]benzofuran
CID 139258572
N-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide
CID 70294413
benzo[g][1]benzofuran-5-amine
CID 141105046
2,6-dibromonaphthalene;phenanthren-9-ylboronic acid;9-(6-phenanthren-9-ylnaphthalen-2-yl)phenanthrene
CID 158359204

Frequently Asked Questions

What is the IUPAC name of benzo[g][1]benzofuran-4-ylboronic acid?
The IUPAC name of benzo[g][1]benzofuran-4-ylboronic acid (CID 171854414) is benzo[g][1]benzofuran-4-ylboronic acid.
What is the SMILES notation for benzo[g][1]benzofuran-4-ylboronic acid?
The canonical SMILES for benzo[g][1]benzofuran-4-ylboronic acid is OB(O)c1cc2ccccc2c2occc12.
What is the InChIKey of benzo[g][1]benzofuran-4-ylboronic acid?
The InChIKey is KROUPGAEQIJOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BO3/c14-13(15)11-7-8-3-1-2-4-9(8)12-10(11)5-6-16-12/h1-7,14-15H.
What are the key properties of benzo[g][1]benzofuran-4-ylboronic acid?
benzo[g][1]benzofuran-4-ylboronic acid has a molecular weight of 212.01 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g][1]benzofuran-4-ylboronic acid is sourced from PubChem (CID 171854414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).