(6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid

C13H10BO3+ — CID 123584372

IUPAC(6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid
SMILESCC1=[C+]C=Cc2c1oc1c(B(O)O)cccc21
InChIInChI=1S/C13H10BO3/c1-8-4-2-5-9-10-6-3-7-11(14(15)16)13(10)17-12(8)9/h2-3,5-7,15-16H,1H3/q+1
InChIKeyQWHRIHPSKRKESI-UHFFFAOYSA-N
MW225.03 g/mol
LogP1.35
Rot. Bonds1

About (6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid

(6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid (PubChem CID 123584372) has the molecular formula C13H10BO3+ and a molecular weight of 225.03 g/mol. Its IUPAC name is (6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid.

Molecular Properties

Compound Name(6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid
PubChem CID123584372
Molecular FormulaC13H10BO3+
Molecular Weight225.03 g/mol
Exact Mass225.07
IUPAC Name(6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid
SMILESCC1=[C+]C=Cc2c1oc1c(B(O)O)cccc21
InChIInChI=1S/C13H10BO3/c1-8-4-2-5-9-10-6-3-7-11(14(15)16)13(10)17-12(8)9/h2-3,5-7,15-16H,1H3/q+1
InChIKeyQWHRIHPSKRKESI-UHFFFAOYSA-N
XLogP1.35
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.03
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dimethyl-1-benzofuran-7-yl)boronic acid
CID 123918946
21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-ylboronic acid
CID 140963803
8,9-dihydrodibenzofuran-4-ylboronic acid
CID 123567559
(8-bromodibenzofuran-4-yl)boronic acid
CID 142752650
[1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid
CID 151988761
7H-dibenzothiophen-7-ylium-4-ylboronic acid
CID 123695131
naphtho[1,2-b][1]benzofuran-4-ylboronic acid
CID 142752835
[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid
CID 144640440
[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid
CID 90125806
(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid
CID 123442682
(6-propan-2-yldibenzofuran-1-yl)boronic acid
CID 140857097
CID 161494489
CID 161494489

Frequently Asked Questions

What is the IUPAC name of (6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid?
The IUPAC name of (6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid (CID 123584372) is (6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid.
What is the SMILES notation for (6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid?
The canonical SMILES for (6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid is CC1=[C+]C=Cc2c1oc1c(B(O)O)cccc21.
What is the InChIKey of (6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid?
The InChIKey is QWHRIHPSKRKESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BO3/c1-8-4-2-5-9-10-6-3-7-11(14(15)16)13(10)17-12(8)9/h2-3,5-7,15-16H,1H3/q+1.
What are the key properties of (6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid?
(6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid has a molecular weight of 225.03 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid is sourced from PubChem (CID 123584372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).