2-hydroxy-1,3,2-benzodioxaborole

C6H5BO3 — CID 585956

IUPAC2-hydroxy-1,3,2-benzodioxaborole
SMILESOB1Oc2ccccc2O1
InChIInChI=1S/C6H5BO3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,8H
InChIKeyOOFDANOLKKSIGY-UHFFFAOYSA-N
MW135.91 g/mol
LogP0.44
Rot. Bonds

About 2-hydroxy-1,3,2-benzodioxaborole

2-hydroxy-1,3,2-benzodioxaborole (PubChem CID 585956) has the molecular formula C6H5BO3 and a molecular weight of 135.91 g/mol. Its IUPAC name is 2-hydroxy-1,3,2-benzodioxaborole.

Molecular Properties

Compound Name2-hydroxy-1,3,2-benzodioxaborole
PubChem CID585956
Molecular FormulaC6H5BO3
Molecular Weight135.91 g/mol
Exact Mass136.03
IUPAC Name2-hydroxy-1,3,2-benzodioxaborole
SMILESOB1Oc2ccccc2O1
InChIInChI=1S/C6H5BO3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,8H
InChIKeyOOFDANOLKKSIGY-UHFFFAOYSA-N
XLogP0.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.91
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-hydroxy-1,3,2-benzodioxaborole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,3,2-benzodioxaborole?
The IUPAC name of 2-hydroxy-1,3,2-benzodioxaborole (CID 585956) is 2-hydroxy-1,3,2-benzodioxaborole.
What is the SMILES notation for 2-hydroxy-1,3,2-benzodioxaborole?
The canonical SMILES for 2-hydroxy-1,3,2-benzodioxaborole is OB1Oc2ccccc2O1.
What is the InChIKey of 2-hydroxy-1,3,2-benzodioxaborole?
The InChIKey is OOFDANOLKKSIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BO3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,8H.
What are the key properties of 2-hydroxy-1,3,2-benzodioxaborole?
2-hydroxy-1,3,2-benzodioxaborole has a molecular weight of 135.91 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,3,2-benzodioxaborole is sourced from PubChem (CID 585956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).