(2-formyl-5-phenylphenyl)boronic acid

C13H11BO3 — CID 170987135

IUPAC(2-formyl-5-phenylphenyl)boronic acid
SMILESO=Cc1ccc(-c2ccccc2)cc1B(O)O
InChIInChI=1S/C13H11BO3/c15-9-12-7-6-11(8-13(12)14(16)17)10-4-2-1-3-5-10/h1-9,16-17H
InChIKeyMPFJRJRIVAWBDR-UHFFFAOYSA-N
MW226.04 g/mol
LogP0.85
Rot. Bonds3

About (2-formyl-5-phenylphenyl)boronic acid

(2-formyl-5-phenylphenyl)boronic acid (PubChem CID 170987135) has the molecular formula C13H11BO3 and a molecular weight of 226.04 g/mol. Its IUPAC name is (2-formyl-5-phenylphenyl)boronic acid.

Molecular Properties

Compound Name(2-formyl-5-phenylphenyl)boronic acid
PubChem CID170987135
Molecular FormulaC13H11BO3
Molecular Weight226.04 g/mol
Exact Mass226.08
IUPAC Name(2-formyl-5-phenylphenyl)boronic acid
SMILESO=Cc1ccc(-c2ccccc2)cc1B(O)O
InChIInChI=1S/C13H11BO3/c15-9-12-7-6-11(8-13(12)14(16)17)10-4-2-1-3-5-10/h1-9,16-17H
InChIKeyMPFJRJRIVAWBDR-UHFFFAOYSA-N
XLogP0.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.04
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-formyl-5-phenylphenyl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-formyl-5-phenylphenyl)boronic acid?
The IUPAC name of (2-formyl-5-phenylphenyl)boronic acid (CID 170987135) is (2-formyl-5-phenylphenyl)boronic acid.
What is the SMILES notation for (2-formyl-5-phenylphenyl)boronic acid?
The canonical SMILES for (2-formyl-5-phenylphenyl)boronic acid is O=Cc1ccc(-c2ccccc2)cc1B(O)O.
What is the InChIKey of (2-formyl-5-phenylphenyl)boronic acid?
The InChIKey is MPFJRJRIVAWBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BO3/c15-9-12-7-6-11(8-13(12)14(16)17)10-4-2-1-3-5-10/h1-9,16-17H.
What are the key properties of (2-formyl-5-phenylphenyl)boronic acid?
(2-formyl-5-phenylphenyl)boronic acid has a molecular weight of 226.04 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyl-5-phenylphenyl)boronic acid is sourced from PubChem (CID 170987135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).