phenyl(phenylperoxy)borinic acid

C12H11BO3 — CID 87134111

IUPACphenyl(phenylperoxy)borinic acid
SMILESOB(OOc1ccccc1)c1ccccc1
InChIInChI=1S/C12H11BO3/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,14H
InChIKeyIPTUODLTWMZNRH-UHFFFAOYSA-N
MW214.03 g/mol
LogP1.38
Rot. Bonds4

About phenyl(phenylperoxy)borinic acid

phenyl(phenylperoxy)borinic acid (PubChem CID 87134111) has the molecular formula C12H11BO3 and a molecular weight of 214.03 g/mol. Its IUPAC name is phenyl(phenylperoxy)borinic acid.

Molecular Properties

Compound Namephenyl(phenylperoxy)borinic acid
PubChem CID87134111
Molecular FormulaC12H11BO3
Molecular Weight214.03 g/mol
Exact Mass214.08
IUPAC Namephenyl(phenylperoxy)borinic acid
SMILESOB(OOc1ccccc1)c1ccccc1
InChIInChI=1S/C12H11BO3/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,14H
InChIKeyIPTUODLTWMZNRH-UHFFFAOYSA-N
XLogP1.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.03
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl(phenylperoxy)borinic acid?
The IUPAC name of phenyl(phenylperoxy)borinic acid (CID 87134111) is phenyl(phenylperoxy)borinic acid.
What is the SMILES notation for phenyl(phenylperoxy)borinic acid?
The canonical SMILES for phenyl(phenylperoxy)borinic acid is OB(OOc1ccccc1)c1ccccc1.
What is the InChIKey of phenyl(phenylperoxy)borinic acid?
The InChIKey is IPTUODLTWMZNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BO3/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,14H.
What are the key properties of phenyl(phenylperoxy)borinic acid?
phenyl(phenylperoxy)borinic acid has a molecular weight of 214.03 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(phenylperoxy)borinic acid is sourced from PubChem (CID 87134111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).