ethyl 4,5-diiodo-2-methoxybenzoate

C10H10I2O3 — CID 134644512

IUPACethyl 4,5-diiodo-2-methoxybenzoate
SMILESCCOC(=O)c1cc(I)c(I)cc1OC
InChIInChI=1S/C10H10I2O3/c1-3-15-10(13)6-4-7(11)8(12)5-9(6)14-2/h4-5H,3H2,1-2H3
InChIKeyUOGYXVHSTBKFID-UHFFFAOYSA-N
MW432.00 g/mol
LogP3.08
Rot. Bonds3

About ethyl 4,5-diiodo-2-methoxybenzoate

ethyl 4,5-diiodo-2-methoxybenzoate (PubChem CID 134644512) has the molecular formula C10H10I2O3 and a molecular weight of 432.00 g/mol. Its IUPAC name is ethyl 4,5-diiodo-2-methoxybenzoate.

Molecular Properties

Compound Nameethyl 4,5-diiodo-2-methoxybenzoate
PubChem CID134644512
Molecular FormulaC10H10I2O3
Molecular Weight432.00 g/mol
Exact Mass431.87
IUPAC Nameethyl 4,5-diiodo-2-methoxybenzoate
SMILESCCOC(=O)c1cc(I)c(I)cc1OC
InChIInChI=1S/C10H10I2O3/c1-3-15-10(13)6-4-7(11)8(12)5-9(6)14-2/h4-5H,3H2,1-2H3
InChIKeyUOGYXVHSTBKFID-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.00
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4,5-diiodo-2-methoxybenzoate
CID 130877100
ethyl 2,4-diiodo-5-methoxybenzoate
CID 134645167
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 2-fluoro-5-iodo-3-methoxybenzoate
CID 164891233
ethyl 2-cyano-4-iodo-5-methoxybenzoate
CID 134643414
ethyl 4-iodo-2,6-dimethoxybenzoate
CID 22933011
ethyl 2,5-dimethoxy-4-nitrobenzoate
CID 53419339
ethyl 7-iodo-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 78358217
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
ethyl 5-cyano-4-ethyl-2-methoxybenzoate
CID 134614242

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-diiodo-2-methoxybenzoate?
The IUPAC name of ethyl 4,5-diiodo-2-methoxybenzoate (CID 134644512) is ethyl 4,5-diiodo-2-methoxybenzoate.
What is the SMILES notation for ethyl 4,5-diiodo-2-methoxybenzoate?
The canonical SMILES for ethyl 4,5-diiodo-2-methoxybenzoate is CCOC(=O)c1cc(I)c(I)cc1OC.
What is the InChIKey of ethyl 4,5-diiodo-2-methoxybenzoate?
The InChIKey is UOGYXVHSTBKFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10I2O3/c1-3-15-10(13)6-4-7(11)8(12)5-9(6)14-2/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 4,5-diiodo-2-methoxybenzoate?
ethyl 4,5-diiodo-2-methoxybenzoate has a molecular weight of 432.00 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-diiodo-2-methoxybenzoate is sourced from PubChem (CID 134644512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).