2,3-diethoxy-5-iodobenzaldehyde

C11H13IO3 — CID 100582153

IUPAC2,3-diethoxy-5-iodobenzaldehyde
SMILESCCOc1cc(I)cc(C=O)c1OCC
InChIInChI=1S/C11H13IO3/c1-3-14-10-6-9(12)5-8(7-13)11(10)15-4-2/h5-7H,3-4H2,1-2H3
InChIKeyQZKOIQBAGBWPMC-UHFFFAOYSA-N
MW320.13 g/mol
LogP2.90
Rot. Bonds5

About 2,3-diethoxy-5-iodobenzaldehyde

2,3-diethoxy-5-iodobenzaldehyde (PubChem CID 100582153) has the molecular formula C11H13IO3 and a molecular weight of 320.13 g/mol. Its IUPAC name is 2,3-diethoxy-5-iodobenzaldehyde.

Molecular Properties

Compound Name2,3-diethoxy-5-iodobenzaldehyde
PubChem CID100582153
Molecular FormulaC11H13IO3
Molecular Weight320.13 g/mol
Exact Mass319.99
IUPAC Name2,3-diethoxy-5-iodobenzaldehyde
SMILESCCOc1cc(I)cc(C=O)c1OCC
InChIInChI=1S/C11H13IO3/c1-3-14-10-6-9(12)5-8(7-13)11(10)15-4-2/h5-7H,3-4H2,1-2H3
InChIKeyQZKOIQBAGBWPMC-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-diethoxy-5-iodobenzaldehyde 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

5-bromo-2,3-diethoxybenzaldehyde
CID 100582069
5-bromo-2-ethoxy-3-methoxybenzaldehyde
CID 20994235
2-butoxy-5-iodo-3-methylbenzaldehyde
CID 100581502
2-ethoxy-4-fluoro-5-iodobenzaldehyde
CID 131313075
4-butoxy-3-ethoxy-5-iodobenzaldehyde
CID 19617695
5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde
CID 139667208
4-ethoxy-3,5-diformylbenzonitrile
CID 171031042
3,4-diethoxy-2-fluoro-6-formylbenzonitrile
CID 23093710
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
4,5-diethoxy-2-hydroxybenzaldehyde
CID 22039093
3,5-diethoxy-4-(4-fluorophenyl)-2-iodobenzaldehyde
CID 90423072

Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxy-5-iodobenzaldehyde?
The IUPAC name of 2,3-diethoxy-5-iodobenzaldehyde (CID 100582153) is 2,3-diethoxy-5-iodobenzaldehyde.
What is the SMILES notation for 2,3-diethoxy-5-iodobenzaldehyde?
The canonical SMILES for 2,3-diethoxy-5-iodobenzaldehyde is CCOc1cc(I)cc(C=O)c1OCC.
What is the InChIKey of 2,3-diethoxy-5-iodobenzaldehyde?
The InChIKey is QZKOIQBAGBWPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO3/c1-3-14-10-6-9(12)5-8(7-13)11(10)15-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,3-diethoxy-5-iodobenzaldehyde?
2,3-diethoxy-5-iodobenzaldehyde has a molecular weight of 320.13 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxy-5-iodobenzaldehyde is sourced from PubChem (CID 100582153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).