benzo[e][1]benzofuran-8-ylboronic acid

C12H9BO3 — CID 166059866

IUPACbenzo[e][1]benzofuran-8-ylboronic acid
SMILESOB(O)c1ccc2ccc3occc3c2c1
InChIInChI=1S/C12H9BO3/c14-13(15)9-3-1-8-2-4-12-10(5-6-16-12)11(8)7-9/h1-7,14-15H
InChIKeySFJSUEHAELRLNM-UHFFFAOYSA-N
MW212.01 g/mol
LogP1.27
Rot. Bonds1

About benzo[e][1]benzofuran-8-ylboronic acid

benzo[e][1]benzofuran-8-ylboronic acid (PubChem CID 166059866) has the molecular formula C12H9BO3 and a molecular weight of 212.01 g/mol. Its IUPAC name is benzo[e][1]benzofuran-8-ylboronic acid.

Molecular Properties

Compound Namebenzo[e][1]benzofuran-8-ylboronic acid
PubChem CID166059866
Molecular FormulaC12H9BO3
Molecular Weight212.01 g/mol
Exact Mass212.06
IUPAC Namebenzo[e][1]benzofuran-8-ylboronic acid
SMILESOB(O)c1ccc2ccc3occc3c2c1
InChIInChI=1S/C12H9BO3/c14-13(15)9-3-1-8-2-4-12-10(5-6-16-12)11(8)7-9/h1-7,14-15H
InChIKeySFJSUEHAELRLNM-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

8-fluorobenzo[e][1]benzofuran
CID 101247142
(8-methylnaphthalen-2-yl)boronic acid
CID 118802367
benzo[e][1]benzofuran;N,N-dimethylmethanamine
CID 174542666
4-methoxy-5-methyl-1-benzofuran
CID 22940027
(6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid
CID 67422872
(3-methyl-1,2-benzoxazol-5-yl)boronic acid
CID 90733121
(1-oxo-2H-isoquinolin-7-yl)boronic acid
CID 89017076
7-borononaphthalene-1-carboxylic acid
CID 71291408
[1]benzofuro[4,5-g]quinoline;hydrochloride
CID 68728891
benzo[a]oxanthren-10-ylboronic acid;ethane
CID 142294193
17-butyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene
CID 89117036
(8-boronodibenzothiophen-2-yl)boronic acid
CID 2792628

Frequently Asked Questions

What is the IUPAC name of benzo[e][1]benzofuran-8-ylboronic acid?
The IUPAC name of benzo[e][1]benzofuran-8-ylboronic acid (CID 166059866) is benzo[e][1]benzofuran-8-ylboronic acid.
What is the SMILES notation for benzo[e][1]benzofuran-8-ylboronic acid?
The canonical SMILES for benzo[e][1]benzofuran-8-ylboronic acid is OB(O)c1ccc2ccc3occc3c2c1.
What is the InChIKey of benzo[e][1]benzofuran-8-ylboronic acid?
The InChIKey is SFJSUEHAELRLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BO3/c14-13(15)9-3-1-8-2-4-12-10(5-6-16-12)11(8)7-9/h1-7,14-15H.
What are the key properties of benzo[e][1]benzofuran-8-ylboronic acid?
benzo[e][1]benzofuran-8-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[e][1]benzofuran-8-ylboronic acid is sourced from PubChem (CID 166059866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).