2-iodo-1,3-dimethoxybenzene

C8H9IO2 — CID 11391407

IUPAC2-iodo-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1I
InChIInChI=1S/C8H9IO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,1-2H3
InChIKeyWCYZALIKRBYPOM-UHFFFAOYSA-N
MW264.06 g/mol
LogP2.31
Rot. Bonds2

About 2-iodo-1,3-dimethoxybenzene

2-iodo-1,3-dimethoxybenzene (PubChem CID 11391407) has the molecular formula C8H9IO2 and a molecular weight of 264.06 g/mol. Its IUPAC name is 2-iodo-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-iodo-1,3-dimethoxybenzene
PubChem CID11391407
Molecular FormulaC8H9IO2
Molecular Weight264.06 g/mol
Exact Mass263.96
IUPAC Name2-iodo-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1I
InChIInChI=1S/C8H9IO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,1-2H3
InChIKeyWCYZALIKRBYPOM-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodo-1,3-dimethoxybenzene 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-iodo-1,3-dimethoxybenzene?
The IUPAC name of 2-iodo-1,3-dimethoxybenzene (CID 11391407) is 2-iodo-1,3-dimethoxybenzene.
What is the SMILES notation for 2-iodo-1,3-dimethoxybenzene?
The canonical SMILES for 2-iodo-1,3-dimethoxybenzene is COc1cccc(OC)c1I.
What is the InChIKey of 2-iodo-1,3-dimethoxybenzene?
The InChIKey is WCYZALIKRBYPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,1-2H3.
What are the key properties of 2-iodo-1,3-dimethoxybenzene?
2-iodo-1,3-dimethoxybenzene has a molecular weight of 264.06 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1,3-dimethoxybenzene is sourced from PubChem (CID 11391407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).