(3-phenylphenyl)boronic acid

C12H11BO2 — CID 2734315

IUPAC(3-phenylphenyl)boronic acid
SMILESOB(O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C12H11BO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14-15H
InChIKeyGOXICVKOZJFRMB-UHFFFAOYSA-N
MW198.03 g/mol
LogP1.03
Rot. Bonds2

About (3-phenylphenyl)boronic acid

(3-phenylphenyl)boronic acid (PubChem CID 2734315) has the molecular formula C12H11BO2 and a molecular weight of 198.03 g/mol. Its IUPAC name is (3-phenylphenyl)boronic acid.

Molecular Properties

Compound Name(3-phenylphenyl)boronic acid
PubChem CID2734315
Molecular FormulaC12H11BO2
Molecular Weight198.03 g/mol
Exact Mass198.09
IUPAC Name(3-phenylphenyl)boronic acid
SMILESOB(O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C12H11BO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14-15H
InChIKeyGOXICVKOZJFRMB-UHFFFAOYSA-N
XLogP1.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.03
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (3-phenylphenyl)boronic acid?
The IUPAC name of (3-phenylphenyl)boronic acid (CID 2734315) is (3-phenylphenyl)boronic acid.
What is the SMILES notation for (3-phenylphenyl)boronic acid?
The canonical SMILES for (3-phenylphenyl)boronic acid is OB(O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of (3-phenylphenyl)boronic acid?
The InChIKey is GOXICVKOZJFRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14-15H.
What are the key properties of (3-phenylphenyl)boronic acid?
(3-phenylphenyl)boronic acid has a molecular weight of 198.03 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylphenyl)boronic acid is sourced from PubChem (CID 2734315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).