[4-(3-formylphenyl)phenyl]boronic acid

C13H11BO3 — CID 23005401

IUPAC[4-(3-formylphenyl)phenyl]boronic acid
SMILESO=Cc1cccc(-c2ccc(B(O)O)cc2)c1
InChIInChI=1S/C13H11BO3/c15-9-10-2-1-3-12(8-10)11-4-6-13(7-5-11)14(16)17/h1-9,16-17H
InChIKeyPOFFFXSVUBIUPB-UHFFFAOYSA-N
MW226.04 g/mol
LogP0.85
Rot. Bonds3

About [4-(3-formylphenyl)phenyl]boronic acid

[4-(3-formylphenyl)phenyl]boronic acid (PubChem CID 23005401) has the molecular formula C13H11BO3 and a molecular weight of 226.04 g/mol. Its IUPAC name is [4-(3-formylphenyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(3-formylphenyl)phenyl]boronic acid
PubChem CID23005401
Molecular FormulaC13H11BO3
Molecular Weight226.04 g/mol
Exact Mass226.08
IUPAC Name[4-(3-formylphenyl)phenyl]boronic acid
SMILESO=Cc1cccc(-c2ccc(B(O)O)cc2)c1
InChIInChI=1S/C13H11BO3/c15-9-10-2-1-3-12(8-10)11-4-6-13(7-5-11)14(16)17/h1-9,16-17H
InChIKeyPOFFFXSVUBIUPB-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'}

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Frequently Asked Questions

What is the IUPAC name of [4-(3-formylphenyl)phenyl]boronic acid?
The IUPAC name of [4-(3-formylphenyl)phenyl]boronic acid (CID 23005401) is [4-(3-formylphenyl)phenyl]boronic acid.
What is the SMILES notation for [4-(3-formylphenyl)phenyl]boronic acid?
The canonical SMILES for [4-(3-formylphenyl)phenyl]boronic acid is O=Cc1cccc(-c2ccc(B(O)O)cc2)c1.
What is the InChIKey of [4-(3-formylphenyl)phenyl]boronic acid?
The InChIKey is POFFFXSVUBIUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BO3/c15-9-10-2-1-3-12(8-10)11-4-6-13(7-5-11)14(16)17/h1-9,16-17H.
What are the key properties of [4-(3-formylphenyl)phenyl]boronic acid?
[4-(3-formylphenyl)phenyl]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 [4-(3-formylphenyl)phenyl]boronic acid is sourced from PubChem (CID 23005401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).