(3-formyldibenzofuran-4-yl)boronic acid

C13H9BO4 — CID 142742375

IUPAC(3-formyldibenzofuran-4-yl)boronic acid
SMILESO=Cc1ccc2c(oc3ccccc32)c1B(O)O
InChIInChI=1S/C13H9BO4/c15-7-8-5-6-10-9-3-1-2-4-11(9)18-13(10)12(8)14(16)17/h1-7,16-17H
InChIKeyXOAMOKMXMRRUNV-UHFFFAOYSA-N
MW240.02 g/mol
LogP1.08
Rot. Bonds2

About (3-formyldibenzofuran-4-yl)boronic acid

(3-formyldibenzofuran-4-yl)boronic acid (PubChem CID 142742375) has the molecular formula C13H9BO4 and a molecular weight of 240.02 g/mol. Its IUPAC name is (3-formyldibenzofuran-4-yl)boronic acid.

Molecular Properties

Compound Name(3-formyldibenzofuran-4-yl)boronic acid
PubChem CID142742375
Molecular FormulaC13H9BO4
Molecular Weight240.02 g/mol
Exact Mass240.06
IUPAC Name(3-formyldibenzofuran-4-yl)boronic acid
SMILESO=Cc1ccc2c(oc3ccccc32)c1B(O)O
InChIInChI=1S/C13H9BO4/c15-7-8-5-6-10-9-3-1-2-4-11(9)18-13(10)12(8)14(16)17/h1-7,16-17H
InChIKeyXOAMOKMXMRRUNV-UHFFFAOYSA-N
XLogP1.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.02
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

naphtho[1,2-b][1]benzofuran-4-ylboronic acid
CID 142752835
4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde
CID 146209946
(4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid
CID 155730533
3-prop-2-enyldibenzofuran-4-ol
CID 59860896
7-chloro-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 147340870
(6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid
CID 162462207
1-dibenzofuran-4-ylethanone
CID 15691981
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
CID 131879231
CID 131879231
CID 158475904
CID 158475904
[5-(9,10-diphenylanthracen-2-yl)naphtho[2,1-b][1]benzofuran-6-yl]boronic acid
CID 88555209

Frequently Asked Questions

What is the IUPAC name of (3-formyldibenzofuran-4-yl)boronic acid?
The IUPAC name of (3-formyldibenzofuran-4-yl)boronic acid (CID 142742375) is (3-formyldibenzofuran-4-yl)boronic acid.
What is the SMILES notation for (3-formyldibenzofuran-4-yl)boronic acid?
The canonical SMILES for (3-formyldibenzofuran-4-yl)boronic acid is O=Cc1ccc2c(oc3ccccc32)c1B(O)O.
What is the InChIKey of (3-formyldibenzofuran-4-yl)boronic acid?
The InChIKey is XOAMOKMXMRRUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BO4/c15-7-8-5-6-10-9-3-1-2-4-11(9)18-13(10)12(8)14(16)17/h1-7,16-17H.
What are the key properties of (3-formyldibenzofuran-4-yl)boronic acid?
(3-formyldibenzofuran-4-yl)boronic acid has a molecular weight of 240.02 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formyldibenzofuran-4-yl)boronic acid is sourced from PubChem (CID 142742375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).