2,6-diiodo-4-(1-methoxyethyl)benzaldehyde

C10H10I2O2 — CID 174350497

IUPAC2,6-diiodo-4-(1-methoxyethyl)benzaldehyde
SMILESCOC(C)c1cc(I)c(C=O)c(I)c1
InChIInChI=1S/C10H10I2O2/c1-6(14-2)7-3-9(11)8(5-13)10(12)4-7/h3-6H,1-2H3
InChIKeyOCYSMJBDTZRKQM-UHFFFAOYSA-N
MW416.00 g/mol
LogP3.42
Rot. Bonds3

About 2,6-diiodo-4-(1-methoxyethyl)benzaldehyde

2,6-diiodo-4-(1-methoxyethyl)benzaldehyde (PubChem CID 174350497) has the molecular formula C10H10I2O2 and a molecular weight of 416.00 g/mol. Its IUPAC name is 2,6-diiodo-4-(1-methoxyethyl)benzaldehyde.

Molecular Properties

Compound Name2,6-diiodo-4-(1-methoxyethyl)benzaldehyde
PubChem CID174350497
Molecular FormulaC10H10I2O2
Molecular Weight416.00 g/mol
Exact Mass415.88
IUPAC Name2,6-diiodo-4-(1-methoxyethyl)benzaldehyde
SMILESCOC(C)c1cc(I)c(C=O)c(I)c1
InChIInChI=1S/C10H10I2O2/c1-6(14-2)7-3-9(11)8(5-13)10(12)4-7/h3-6H,1-2H3
InChIKeyOCYSMJBDTZRKQM-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.00
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-diiodo-4-(1-methoxyethyl)benzaldehyde 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 2,6-diiodo-4-(1-methoxyethyl)benzaldehyde?
The IUPAC name of 2,6-diiodo-4-(1-methoxyethyl)benzaldehyde (CID 174350497) is 2,6-diiodo-4-(1-methoxyethyl)benzaldehyde.
What is the SMILES notation for 2,6-diiodo-4-(1-methoxyethyl)benzaldehyde?
The canonical SMILES for 2,6-diiodo-4-(1-methoxyethyl)benzaldehyde is COC(C)c1cc(I)c(C=O)c(I)c1.
What is the InChIKey of 2,6-diiodo-4-(1-methoxyethyl)benzaldehyde?
The InChIKey is OCYSMJBDTZRKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10I2O2/c1-6(14-2)7-3-9(11)8(5-13)10(12)4-7/h3-6H,1-2H3.
What are the key properties of 2,6-diiodo-4-(1-methoxyethyl)benzaldehyde?
2,6-diiodo-4-(1-methoxyethyl)benzaldehyde has a molecular weight of 416.00 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diiodo-4-(1-methoxyethyl)benzaldehyde is sourced from PubChem (CID 174350497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).