[4-(4-boronophenyl)phenyl]boronic acid

C12H12B2O4 — CID 2734608

IUPAC[4-(4-boronophenyl)phenyl]boronic acid
SMILESOB(O)c1ccc(-c2ccc(B(O)O)cc2)cc1
InChIInChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H
InChIKeySLHKDOGTVUCXKX-UHFFFAOYSA-N
MW241.85 g/mol
LogP-1.29
Rot. Bonds3

About [4-(4-boronophenyl)phenyl]boronic acid

[4-(4-boronophenyl)phenyl]boronic acid (PubChem CID 2734608) has the molecular formula C12H12B2O4 and a molecular weight of 241.85 g/mol. Its IUPAC name is [4-(4-boronophenyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(4-boronophenyl)phenyl]boronic acid
PubChem CID2734608
Molecular FormulaC12H12B2O4
Molecular Weight241.85 g/mol
Exact Mass242.09
IUPAC Name[4-(4-boronophenyl)phenyl]boronic acid
SMILESOB(O)c1ccc(-c2ccc(B(O)O)cc2)cc1
InChIInChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H
InChIKeySLHKDOGTVUCXKX-UHFFFAOYSA-N
XLogP-1.29
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.85
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-boronophenyl)phenyl]boronic acid?
The IUPAC name of [4-(4-boronophenyl)phenyl]boronic acid (CID 2734608) is [4-(4-boronophenyl)phenyl]boronic acid.
What is the SMILES notation for [4-(4-boronophenyl)phenyl]boronic acid?
The canonical SMILES for [4-(4-boronophenyl)phenyl]boronic acid is OB(O)c1ccc(-c2ccc(B(O)O)cc2)cc1.
What is the InChIKey of [4-(4-boronophenyl)phenyl]boronic acid?
The InChIKey is SLHKDOGTVUCXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H.
What are the key properties of [4-(4-boronophenyl)phenyl]boronic acid?
[4-(4-boronophenyl)phenyl]boronic acid has a molecular weight of 241.85 g/mol, XLogP of -1.29, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-boronophenyl)phenyl]boronic acid is sourced from PubChem (CID 2734608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).