diphenylborinic acid

C12H11BO — CID 17498

IUPACdiphenylborinic acid
SMILESOB(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11BO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
InChIKeyVIGVRXYWWFPORY-UHFFFAOYSA-N
MW182.03 g/mol
LogP0.78
Rot. Bonds2

About diphenylborinic acid

diphenylborinic acid (PubChem CID 17498) has the molecular formula C12H11BO and a molecular weight of 182.03 g/mol. Its IUPAC name is diphenylborinic acid.

Molecular Properties

Compound Namediphenylborinic acid
PubChem CID17498
Molecular FormulaC12H11BO
Molecular Weight182.03 g/mol
Exact Mass182.09
IUPAC Namediphenylborinic acid
SMILESOB(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11BO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
InChIKeyVIGVRXYWWFPORY-UHFFFAOYSA-N
XLogP0.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.03
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 diphenylborinic acid?
The IUPAC name of diphenylborinic acid (CID 17498) is diphenylborinic acid.
What is the SMILES notation for diphenylborinic acid?
The canonical SMILES for diphenylborinic acid is OB(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylborinic acid?
The InChIKey is VIGVRXYWWFPORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H.
What are the key properties of diphenylborinic acid?
diphenylborinic acid has a molecular weight of 182.03 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylborinic acid is sourced from PubChem (CID 17498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).