ethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate

C11H12I2O3 — CID 165355692

IUPACethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate
SMILESCCOC(=O)Cc1c(I)cc(I)cc1OC
InChIInChI=1S/C11H12I2O3/c1-3-16-11(14)6-8-9(13)4-7(12)5-10(8)15-2/h4-5H,3,6H2,1-2H3
InChIKeyDFAHNRKYWWEQML-UHFFFAOYSA-N
MW446.02 g/mol
LogP3.01
Rot. Bonds4

About ethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate

ethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate (PubChem CID 165355692) has the molecular formula C11H12I2O3 and a molecular weight of 446.02 g/mol. Its IUPAC name is ethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate
PubChem CID165355692
Molecular FormulaC11H12I2O3
Molecular Weight446.02 g/mol
Exact Mass445.89
IUPAC Nameethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate
SMILESCCOC(=O)Cc1c(I)cc(I)cc1OC
InChIInChI=1S/C11H12I2O3/c1-3-16-11(14)6-8-9(13)4-7(12)5-10(8)15-2/h4-5H,3,6H2,1-2H3
InChIKeyDFAHNRKYWWEQML-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.02
LogP ≤ 53.01
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

ethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate
CID 22485514
ethyl 4-iodo-2,6-dimethoxybenzoate
CID 22933011
ethyl 2-[5-bromo-2-(bromomethyl)-3-methoxyphenyl]acetate
CID 171006287
ethyl 2-[2-(bromomethyl)-5-fluoro-3-methoxyphenyl]acetate
CID 171017711
ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
CID 133101552
ethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate
CID 134654711
2-ethyl-5-iodo-1,3-dimethoxybenzene
CID 118819025
ethyl 2-(2,4,6-trihydroxyphenyl)acetate
CID 96710196
ethyl 2-(2-bromo-4-cyano-6-methoxyphenyl)acetate
CID 134652635
ethyl 2-[4-cyano-2-(hydroxymethyl)-6-methoxyphenyl]acetate
CID 134655167
ethyl 2-(2-cyano-6-ethyl-4-iodophenyl)acetate
CID 134614895
ethyl 2-[6-bromo-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate
CID 134670859

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate?
The IUPAC name of ethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate (CID 165355692) is ethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate is CCOC(=O)Cc1c(I)cc(I)cc1OC.
What is the InChIKey of ethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate?
The InChIKey is DFAHNRKYWWEQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12I2O3/c1-3-16-11(14)6-8-9(13)4-7(12)5-10(8)15-2/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate?
ethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate has a molecular weight of 446.02 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate is sourced from PubChem (CID 165355692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).