2-(4-iodophenyl)-2-[2-(4-iodophenyl)oxan-2-yl]oxyoxane

C22H24I2O3 — CID 67780637

IUPAC2-(4-iodophenyl)-2-[2-(4-iodophenyl)oxan-2-yl]oxyoxane
SMILESIc1ccc(C2(OC3(c4ccc(I)cc4)CCCCO3)CCCCO2)cc1
InChIInChI=1S/C22H24I2O3/c23-19-9-5-17(6-10-19)21(13-1-3-15-25-21)27-22(14-2-4-16-26-22)18-7-11-20(24)12-8-18/h5-12H,1-4,13-16H2
InChIKeyLUQKGULLSUAKHA-UHFFFAOYSA-N
MW590.24 g/mol
LogP6.32
Rot. Bonds4

About 2-(4-iodophenyl)-2-[2-(4-iodophenyl)oxan-2-yl]oxyoxane

2-(4-iodophenyl)-2-[2-(4-iodophenyl)oxan-2-yl]oxyoxane (PubChem CID 67780637) has the molecular formula C22H24I2O3 and a molecular weight of 590.24 g/mol. Its IUPAC name is 2-(4-iodophenyl)-2-[2-(4-iodophenyl)oxan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-(4-iodophenyl)-2-[2-(4-iodophenyl)oxan-2-yl]oxyoxane
PubChem CID67780637
Molecular FormulaC22H24I2O3
Molecular Weight590.24 g/mol
Exact Mass589.98
IUPAC Name2-(4-iodophenyl)-2-[2-(4-iodophenyl)oxan-2-yl]oxyoxane
SMILESIc1ccc(C2(OC3(c4ccc(I)cc4)CCCCO3)CCCCO2)cc1
InChIInChI=1S/C22H24I2O3/c23-19-9-5-17(6-10-19)21(13-1-3-15-25-21)27-22(14-2-4-16-26-22)18-7-11-20(24)12-8-18/h5-12H,1-4,13-16H2
InChIKeyLUQKGULLSUAKHA-UHFFFAOYSA-N
XLogP6.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.24
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-iodophenyl)-2-[2-(4-iodophenyl)oxan-2-yl]oxyoxane 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-(4-iodophenyl)-2-[2-(4-iodophenyl)oxan-2-yl]oxyoxane?
The IUPAC name of 2-(4-iodophenyl)-2-[2-(4-iodophenyl)oxan-2-yl]oxyoxane (CID 67780637) is 2-(4-iodophenyl)-2-[2-(4-iodophenyl)oxan-2-yl]oxyoxane.
What is the SMILES notation for 2-(4-iodophenyl)-2-[2-(4-iodophenyl)oxan-2-yl]oxyoxane?
The canonical SMILES for 2-(4-iodophenyl)-2-[2-(4-iodophenyl)oxan-2-yl]oxyoxane is Ic1ccc(C2(OC3(c4ccc(I)cc4)CCCCO3)CCCCO2)cc1.
What is the InChIKey of 2-(4-iodophenyl)-2-[2-(4-iodophenyl)oxan-2-yl]oxyoxane?
The InChIKey is LUQKGULLSUAKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24I2O3/c23-19-9-5-17(6-10-19)21(13-1-3-15-25-21)27-22(14-2-4-16-26-22)18-7-11-20(24)12-8-18/h5-12H,1-4,13-16H2.
What are the key properties of 2-(4-iodophenyl)-2-[2-(4-iodophenyl)oxan-2-yl]oxyoxane?
2-(4-iodophenyl)-2-[2-(4-iodophenyl)oxan-2-yl]oxyoxane has a molecular weight of 590.24 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-2-[2-(4-iodophenyl)oxan-2-yl]oxyoxane is sourced from PubChem (CID 67780637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).