1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene

C33H32I4O4 — CID 101115926

IUPAC1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene
SMILESIc1cccc(COCC(COCc2cccc(I)c2)(COCc2cccc(I)c2)COCc2cccc(I)c2)c1
InChIInChI=1S/C33H32I4O4/c34-29-9-1-5-25(13-29)17-38-21-33(22-39-18-26-6-2-10-30(35)14-26,23-40-19-27-7-3-11-31(36)15-27)24-41-20-28-8-4-12-32(37)16-28/h1-16H,17-24H2
InChIKeyYYSCNVQDLYJFPX-UHFFFAOYSA-N
MW1000.23 g/mol
LogP9.26
Rot. Bonds16

About 1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene

1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene (PubChem CID 101115926) has the molecular formula C33H32I4O4 and a molecular weight of 1000.23 g/mol. Its IUPAC name is 1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene.

Molecular Properties

Compound Name1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene
PubChem CID101115926
Molecular FormulaC33H32I4O4
Molecular Weight1000.23 g/mol
Exact Mass999.85
IUPAC Name1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene
SMILESIc1cccc(COCC(COCc2cccc(I)c2)(COCc2cccc(I)c2)COCc2cccc(I)c2)c1
InChIInChI=1S/C33H32I4O4/c34-29-9-1-5-25(13-29)17-38-21-33(22-39-18-26-6-2-10-30(35)14-26,23-40-19-27-7-3-11-31(36)15-27)24-41-20-28-8-4-12-32(37)16-28/h1-16H,17-24H2
InChIKeyYYSCNVQDLYJFPX-UHFFFAOYSA-N
XLogP9.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001000.23
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene 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-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene
CID 101169604
(3-iodophenyl)methyl hypoiodite
CID 167240125
1-iodo-3-(2-phenylethoxymethyl)benzene
CID 59371407
O-[(3-iodophenyl)methyl]hydroxylamine
CID 25137641
tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane
CID 66845200
(3-iodophenyl)methyl hydrogen sulfite
CID 174745935
1-(chloromethyl)-3-iodobenzene
CID 13059978
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408
1,3-bis[(2,2-difluoro-3-phenylmethoxypropoxy)methyl]benzene
CID 101245599
3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol
CID 101245603
1-(2,2-dimethylpropoxymethyl)-3-methylbenzene
CID 91703784
1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene
CID 65490546

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene?
The IUPAC name of 1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene (CID 101115926) is 1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene.
What is the SMILES notation for 1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene?
The canonical SMILES for 1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene is Ic1cccc(COCC(COCc2cccc(I)c2)(COCc2cccc(I)c2)COCc2cccc(I)c2)c1.
What is the InChIKey of 1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene?
The InChIKey is YYSCNVQDLYJFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32I4O4/c34-29-9-1-5-25(13-29)17-38-21-33(22-39-18-26-6-2-10-30(35)14-26,23-40-19-27-7-3-11-31(36)15-27)24-41-20-28-8-4-12-32(37)16-28/h1-16H,17-24H2.
What are the key properties of 1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene?
1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene has a molecular weight of 1000.23 g/mol, XLogP of 9.26, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene is sourced from PubChem (CID 101115926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).