bis(2-hydroxyphenoxy)borinic acid

C12H11BO5 — CID 19048509

IUPACbis(2-hydroxyphenoxy)borinic acid
SMILESOB(Oc1ccccc1O)Oc1ccccc1O
InChIInChI=1S/C12H11BO5/c14-9-5-1-3-7-11(9)17-13(16)18-12-8-4-2-6-10(12)15/h1-8,14-16H
InChIKeyABVQPOUTAQHHOT-UHFFFAOYSA-N
MW246.03 g/mol
LogP1.53
Rot. Bonds4

About bis(2-hydroxyphenoxy)borinic acid

bis(2-hydroxyphenoxy)borinic acid (PubChem CID 19048509) has the molecular formula C12H11BO5 and a molecular weight of 246.03 g/mol. Its IUPAC name is bis(2-hydroxyphenoxy)borinic acid.

Molecular Properties

Compound Namebis(2-hydroxyphenoxy)borinic acid
PubChem CID19048509
Molecular FormulaC12H11BO5
Molecular Weight246.03 g/mol
Exact Mass246.07
IUPAC Namebis(2-hydroxyphenoxy)borinic acid
SMILESOB(Oc1ccccc1O)Oc1ccccc1O
InChIInChI=1S/C12H11BO5/c14-9-5-1-3-7-11(9)17-13(16)18-12-8-4-2-6-10(12)15/h1-8,14-16H
InChIKeyABVQPOUTAQHHOT-UHFFFAOYSA-N
XLogP1.53
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.03
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(2-hydroxyphenoxy)borinic acid 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 bis(2-hydroxyphenoxy)borinic acid?
The IUPAC name of bis(2-hydroxyphenoxy)borinic acid (CID 19048509) is bis(2-hydroxyphenoxy)borinic acid.
What is the SMILES notation for bis(2-hydroxyphenoxy)borinic acid?
The canonical SMILES for bis(2-hydroxyphenoxy)borinic acid is OB(Oc1ccccc1O)Oc1ccccc1O.
What is the InChIKey of bis(2-hydroxyphenoxy)borinic acid?
The InChIKey is ABVQPOUTAQHHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BO5/c14-9-5-1-3-7-11(9)17-13(16)18-12-8-4-2-6-10(12)15/h1-8,14-16H.
What are the key properties of bis(2-hydroxyphenoxy)borinic acid?
bis(2-hydroxyphenoxy)borinic acid has a molecular weight of 246.03 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyphenoxy)borinic acid is sourced from PubChem (CID 19048509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).