biphenylen-1-ylboronic acid

C12H9BO2 — CID 2795479

IUPACbiphenylen-1-ylboronic acid
SMILESOB(O)c1cccc2c1-c1ccccc1-2
InChIInChI=1S/C12H9BO2/c14-13(15)11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7,14-15H
InChIKeyJQRRFDWXQOQICD-UHFFFAOYSA-N
MW196.01 g/mol
LogP1.01
Rot. Bonds1

About biphenylen-1-ylboronic acid

biphenylen-1-ylboronic acid (PubChem CID 2795479) has the molecular formula C12H9BO2 and a molecular weight of 196.01 g/mol. Its IUPAC name is biphenylen-1-ylboronic acid.

Molecular Properties

Compound Namebiphenylen-1-ylboronic acid
PubChem CID2795479
Molecular FormulaC12H9BO2
Molecular Weight196.01 g/mol
Exact Mass196.07
IUPAC Namebiphenylen-1-ylboronic acid
SMILESOB(O)c1cccc2c1-c1ccccc1-2
InChIInChI=1S/C12H9BO2/c14-13(15)11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7,14-15H
InChIKeyJQRRFDWXQOQICD-UHFFFAOYSA-N
XLogP1.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.01
LogP ≤ 51.01
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 biphenylen-1-ylboronic acid?
The IUPAC name of biphenylen-1-ylboronic acid (CID 2795479) is biphenylen-1-ylboronic acid.
What is the SMILES notation for biphenylen-1-ylboronic acid?
The canonical SMILES for biphenylen-1-ylboronic acid is OB(O)c1cccc2c1-c1ccccc1-2.
What is the InChIKey of biphenylen-1-ylboronic acid?
The InChIKey is JQRRFDWXQOQICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BO2/c14-13(15)11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7,14-15H.
What are the key properties of biphenylen-1-ylboronic acid?
biphenylen-1-ylboronic acid has a molecular weight of 196.01 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylen-1-ylboronic acid is sourced from PubChem (CID 2795479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).