bis(4-hydroxy-2-phenylphenoxy)borinic acid

C24H19BO5 — CID 139941663

IUPACbis(4-hydroxy-2-phenylphenoxy)borinic acid
SMILESOB(Oc1ccc(O)cc1-c1ccccc1)Oc1ccc(O)cc1-c1ccccc1
InChIInChI=1S/C24H19BO5/c26-19-11-13-23(21(15-19)17-7-3-1-4-8-17)29-25(28)30-24-14-12-20(27)16-22(24)18-9-5-2-6-10-18/h1-16,26-28H
InChIKeyXWDBXYUUKGMWHO-UHFFFAOYSA-N
MW398.22 g/mol
LogP4.87
Rot. Bonds6

About bis(4-hydroxy-2-phenylphenoxy)borinic acid

bis(4-hydroxy-2-phenylphenoxy)borinic acid (PubChem CID 139941663) has the molecular formula C24H19BO5 and a molecular weight of 398.22 g/mol. Its IUPAC name is bis(4-hydroxy-2-phenylphenoxy)borinic acid.

Molecular Properties

Compound Namebis(4-hydroxy-2-phenylphenoxy)borinic acid
PubChem CID139941663
Molecular FormulaC24H19BO5
Molecular Weight398.22 g/mol
Exact Mass398.13
IUPAC Namebis(4-hydroxy-2-phenylphenoxy)borinic acid
SMILESOB(Oc1ccc(O)cc1-c1ccccc1)Oc1ccc(O)cc1-c1ccccc1
InChIInChI=1S/C24H19BO5/c26-19-11-13-23(21(15-19)17-7-3-1-4-8-17)29-25(28)30-24-14-12-20(27)16-22(24)18-9-5-2-6-10-18/h1-16,26-28H
InChIKeyXWDBXYUUKGMWHO-UHFFFAOYSA-N
XLogP4.87
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.22
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(4-hydroxy-2-phenylphenoxy)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

Related Compounds

3,4-diphenylphenol;sulfane
CID 172728711
4-phenyl-3-silylphenol
CID 137329798
bis(2-hydroxyphenoxy)borinic acid
CID 19048509
4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol
CID 176656433
4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol
CID 143612086
formaldehyde;4-phenylbenzene-1,3-diol
CID 174408267
2-(2-hydroxyphenyl)phenol;4-phenylbenzene-1,3-diol
CID 69274449
4-hydroxy-2-phenylbenzonitrile
CID 66882443
(5-hydroxy-2-phenylphenyl) hydrogen sulfate
CID 56634877
bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid
CID 174984804
4-phenyl-3-thiophen-3-ylphenol
CID 141017100
potassium 4-hydroxy-2-phenylbenzoate
CID 69113981

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxy-2-phenylphenoxy)borinic acid?
The IUPAC name of bis(4-hydroxy-2-phenylphenoxy)borinic acid (CID 139941663) is bis(4-hydroxy-2-phenylphenoxy)borinic acid.
What is the SMILES notation for bis(4-hydroxy-2-phenylphenoxy)borinic acid?
The canonical SMILES for bis(4-hydroxy-2-phenylphenoxy)borinic acid is OB(Oc1ccc(O)cc1-c1ccccc1)Oc1ccc(O)cc1-c1ccccc1.
What is the InChIKey of bis(4-hydroxy-2-phenylphenoxy)borinic acid?
The InChIKey is XWDBXYUUKGMWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BO5/c26-19-11-13-23(21(15-19)17-7-3-1-4-8-17)29-25(28)30-24-14-12-20(27)16-22(24)18-9-5-2-6-10-18/h1-16,26-28H.
What are the key properties of bis(4-hydroxy-2-phenylphenoxy)borinic acid?
bis(4-hydroxy-2-phenylphenoxy)borinic acid has a molecular weight of 398.22 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxy-2-phenylphenoxy)borinic acid is sourced from PubChem (CID 139941663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).