2,3-diiodo-1,4-dimethoxybenzene

C8H8I2O2 — CID 11653980

IUPAC2,3-diiodo-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(I)c1I
InChIInChI=1S/C8H8I2O2/c1-11-5-3-4-6(12-2)8(10)7(5)9/h3-4H,1-2H3
InChIKeyKKSFPNCGZCWIDE-UHFFFAOYSA-N
MW389.96 g/mol
LogP2.91
Rot. Bonds2

About 2,3-diiodo-1,4-dimethoxybenzene

2,3-diiodo-1,4-dimethoxybenzene (PubChem CID 11653980) has the molecular formula C8H8I2O2 and a molecular weight of 389.96 g/mol. Its IUPAC name is 2,3-diiodo-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2,3-diiodo-1,4-dimethoxybenzene
PubChem CID11653980
Molecular FormulaC8H8I2O2
Molecular Weight389.96 g/mol
Exact Mass389.86
IUPAC Name2,3-diiodo-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(I)c1I
InChIInChI=1S/C8H8I2O2/c1-11-5-3-4-6(12-2)8(10)7(5)9/h3-4H,1-2H3
InChIKeyKKSFPNCGZCWIDE-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.96
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-diiodo-1,4-dimethoxybenzene 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

2,3-diiodo-1-methoxy-4-methylbenzene
CID 130056548
1-chloro-3-iodo-4-methoxy-2-methylbenzene
CID 91025767
2-ethoxy-3-iodo-1,4-dimethoxybenzene
CID 118824660
1,5-diiodo-4,8-dimethoxynaphthalene
CID 11236006
2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene
CID 118819202
1,4,5,8-tetramethoxynaphthalene
CID 10220551
(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 53328080
3-iodo-1,2-dimethoxy-4-methylbenzene
CID 131118438
1,2,3,4-tetraiodo-5-methoxybenzene
CID 163208160
1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene
CID 130934965
3,7-diiodo-6-methoxy-2H-indazole
CID 53412472
2-fluoro-3-iodo-4-methoxybenzonitrile
CID 131285926

Frequently Asked Questions

What is the IUPAC name of 2,3-diiodo-1,4-dimethoxybenzene?
The IUPAC name of 2,3-diiodo-1,4-dimethoxybenzene (CID 11653980) is 2,3-diiodo-1,4-dimethoxybenzene.
What is the SMILES notation for 2,3-diiodo-1,4-dimethoxybenzene?
The canonical SMILES for 2,3-diiodo-1,4-dimethoxybenzene is COc1ccc(OC)c(I)c1I.
What is the InChIKey of 2,3-diiodo-1,4-dimethoxybenzene?
The InChIKey is KKSFPNCGZCWIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8I2O2/c1-11-5-3-4-6(12-2)8(10)7(5)9/h3-4H,1-2H3.
What are the key properties of 2,3-diiodo-1,4-dimethoxybenzene?
2,3-diiodo-1,4-dimethoxybenzene has a molecular weight of 389.96 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiodo-1,4-dimethoxybenzene is sourced from PubChem (CID 11653980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).