(2,3-dimethyl-1-benzofuran-7-yl)boronic acid

C10H11BO3 — CID 123918946

IUPAC(2,3-dimethyl-1-benzofuran-7-yl)boronic acid
SMILESCc1oc2c(B(O)O)cccc2c1C
InChIInChI=1S/C10H11BO3/c1-6-7(2)14-10-8(6)4-3-5-9(10)11(12)13/h3-5,12-13H,1-2H3
InChIKeyNOFXGNIXXFDZRE-UHFFFAOYSA-N
MW190.01 g/mol
LogP0.73
Rot. Bonds1

About (2,3-dimethyl-1-benzofuran-7-yl)boronic acid

(2,3-dimethyl-1-benzofuran-7-yl)boronic acid (PubChem CID 123918946) has the molecular formula C10H11BO3 and a molecular weight of 190.01 g/mol. Its IUPAC name is (2,3-dimethyl-1-benzofuran-7-yl)boronic acid.

Molecular Properties

Compound Name(2,3-dimethyl-1-benzofuran-7-yl)boronic acid
PubChem CID123918946
Molecular FormulaC10H11BO3
Molecular Weight190.01 g/mol
Exact Mass190.08
IUPAC Name(2,3-dimethyl-1-benzofuran-7-yl)boronic acid
SMILESCc1oc2c(B(O)O)cccc2c1C
InChIInChI=1S/C10H11BO3/c1-6-7(2)14-10-8(6)4-3-5-9(10)11(12)13/h3-5,12-13H,1-2H3
InChIKeyNOFXGNIXXFDZRE-UHFFFAOYSA-N
XLogP0.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.01
LogP ≤ 50.73
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

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
(2,3-dimethyl-1-benzofuran-7-yl)carbamic acid
CID 174281750
2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol
CID 117311196
(8-bromodibenzofuran-4-yl)boronic acid
CID 142752650
[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid
CID 144640440
(6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid
CID 123584372
[1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid
CID 151988761
3-(2,3-dimethyl-1-benzofuran-7-yl)pentanedioic acid
CID 23468815
8,9-dihydrodibenzofuran-4-ylboronic acid
CID 123567559
4-(2,3-dimethyl-1-benzofuran-7-yl)-1-methylpiperidine
CID 23468890
naphtho[1,2-b][1]benzofuran-4-ylboronic acid
CID 142752835
(2,3-dimethylphenyl)boronic acid;ethane
CID 91164707

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1-benzofuran-7-yl)boronic acid?
The IUPAC name of (2,3-dimethyl-1-benzofuran-7-yl)boronic acid (CID 123918946) is (2,3-dimethyl-1-benzofuran-7-yl)boronic acid.
What is the SMILES notation for (2,3-dimethyl-1-benzofuran-7-yl)boronic acid?
The canonical SMILES for (2,3-dimethyl-1-benzofuran-7-yl)boronic acid is Cc1oc2c(B(O)O)cccc2c1C.
What is the InChIKey of (2,3-dimethyl-1-benzofuran-7-yl)boronic acid?
The InChIKey is NOFXGNIXXFDZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BO3/c1-6-7(2)14-10-8(6)4-3-5-9(10)11(12)13/h3-5,12-13H,1-2H3.
What are the key properties of (2,3-dimethyl-1-benzofuran-7-yl)boronic acid?
(2,3-dimethyl-1-benzofuran-7-yl)boronic acid has a molecular weight of 190.01 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1-benzofuran-7-yl)boronic acid is sourced from PubChem (CID 123918946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).