2,4-diiodo-6-methoxybenzaldehyde

C8H6I2O2 — CID 119011495

IUPAC2,4-diiodo-6-methoxybenzaldehyde
SMILESCOc1cc(I)cc(I)c1C=O
InChIInChI=1S/C8H6I2O2/c1-12-8-3-5(9)2-7(10)6(8)4-11/h2-4H,1H3
InChIKeyFRLANLMVAALCIX-UHFFFAOYSA-N
MW387.94 g/mol
LogP2.72
Rot. Bonds2

About 2,4-diiodo-6-methoxybenzaldehyde

2,4-diiodo-6-methoxybenzaldehyde (PubChem CID 119011495) has the molecular formula C8H6I2O2 and a molecular weight of 387.94 g/mol. Its IUPAC name is 2,4-diiodo-6-methoxybenzaldehyde.

Molecular Properties

Compound Name2,4-diiodo-6-methoxybenzaldehyde
PubChem CID119011495
Molecular FormulaC8H6I2O2
Molecular Weight387.94 g/mol
Exact Mass387.85
IUPAC Name2,4-diiodo-6-methoxybenzaldehyde
SMILESCOc1cc(I)cc(I)c1C=O
InChIInChI=1S/C8H6I2O2/c1-12-8-3-5(9)2-7(10)6(8)4-11/h2-4H,1H3
InChIKeyFRLANLMVAALCIX-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.94
LogP ≤ 52.72
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 2,4-diiodo-6-methoxybenzaldehyde 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

4-iodo-3,5-dimethoxybenzaldehyde
CID 11300800
2-fluoro-1,5-diiodo-3-methoxybenzene
CID 130984918
2,4-diiodo-6-methoxyaniline
CID 118990977
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde
CID 130913388
5-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
CID 130821345
5-iodo-3-methoxypyridine-2-carbaldehyde
CID 130880961
2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde
CID 3717056
2,3,4-trifluoro-6-methoxybenzaldehyde
CID 105443995
2-acetyl-6-iodo-3-methoxybenzaldehyde
CID 171015394
2-fluoro-6-methoxy-4-methylbenzaldehyde
CID 74891129
5-iodo-2-methoxy-4-methylbenzaldehyde
CID 130739044

Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-6-methoxybenzaldehyde?
The IUPAC name of 2,4-diiodo-6-methoxybenzaldehyde (CID 119011495) is 2,4-diiodo-6-methoxybenzaldehyde.
What is the SMILES notation for 2,4-diiodo-6-methoxybenzaldehyde?
The canonical SMILES for 2,4-diiodo-6-methoxybenzaldehyde is COc1cc(I)cc(I)c1C=O.
What is the InChIKey of 2,4-diiodo-6-methoxybenzaldehyde?
The InChIKey is FRLANLMVAALCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6I2O2/c1-12-8-3-5(9)2-7(10)6(8)4-11/h2-4H,1H3.
What are the key properties of 2,4-diiodo-6-methoxybenzaldehyde?
2,4-diiodo-6-methoxybenzaldehyde has a molecular weight of 387.94 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodo-6-methoxybenzaldehyde is sourced from PubChem (CID 119011495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).