iodo-[4-(4-iodophenoxy)phenyl]borinic acid

C12H9BI2O2 — CID 143940889

IUPACiodo-[4-(4-iodophenoxy)phenyl]borinic acid
SMILESOB(I)c1ccc(Oc2ccc(I)cc2)cc1
InChIInChI=1S/C12H9BI2O2/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8,16H
InChIKeyHIQZQLIGQCBUGF-UHFFFAOYSA-N
MW449.82 g/mol
LogP3.21
Rot. Bonds3

About iodo-[4-(4-iodophenoxy)phenyl]borinic acid

iodo-[4-(4-iodophenoxy)phenyl]borinic acid (PubChem CID 143940889) has the molecular formula C12H9BI2O2 and a molecular weight of 449.82 g/mol. Its IUPAC name is iodo-[4-(4-iodophenoxy)phenyl]borinic acid.

Molecular Properties

Compound Nameiodo-[4-(4-iodophenoxy)phenyl]borinic acid
PubChem CID143940889
Molecular FormulaC12H9BI2O2
Molecular Weight449.82 g/mol
Exact Mass449.88
IUPAC Nameiodo-[4-(4-iodophenoxy)phenyl]borinic acid
SMILESOB(I)c1ccc(Oc2ccc(I)cc2)cc1
InChIInChI=1S/C12H9BI2O2/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8,16H
InChIKeyHIQZQLIGQCBUGF-UHFFFAOYSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.82
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze iodo-[4-(4-iodophenoxy)phenyl]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

1-iodo-4-[4-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494530
4-(4-iodophenoxy)phenol
CID 12940617
1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494478
(4-iodophenyl)boronic acid;molecular hydrogen
CID 160500107
1-(bromomethyl)-4-(4-iodophenoxy)benzene
CID 107087514
1-ethyl-4-(4-iodophenoxy)benzene
CID 118066756
2-(4-iodophenoxy)phenol
CID 90870706
1-(difluoromethoxy)-4-iodobenzene;(4-formylphenyl)boronic acid
CID 87903244
1-(4-iodophenoxy)-4-methylsulfinylbenzene
CID 118066659
4-(4-iodophenoxy)benzenesulfonamide
CID 43164749
(4-iodophenyl) hypoiodite
CID 139399233
(E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid
CID 43327337

Frequently Asked Questions

What is the IUPAC name of iodo-[4-(4-iodophenoxy)phenyl]borinic acid?
The IUPAC name of iodo-[4-(4-iodophenoxy)phenyl]borinic acid (CID 143940889) is iodo-[4-(4-iodophenoxy)phenyl]borinic acid.
What is the SMILES notation for iodo-[4-(4-iodophenoxy)phenyl]borinic acid?
The canonical SMILES for iodo-[4-(4-iodophenoxy)phenyl]borinic acid is OB(I)c1ccc(Oc2ccc(I)cc2)cc1.
What is the InChIKey of iodo-[4-(4-iodophenoxy)phenyl]borinic acid?
The InChIKey is HIQZQLIGQCBUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BI2O2/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8,16H.
What are the key properties of iodo-[4-(4-iodophenoxy)phenyl]borinic acid?
iodo-[4-(4-iodophenoxy)phenyl]borinic acid has a molecular weight of 449.82 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-[4-(4-iodophenoxy)phenyl]borinic acid is sourced from PubChem (CID 143940889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).