methyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate

C12H12I2O6 — CID 11466266

IUPACmethyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate
SMILESCOC(=O)COc1cc(I)cc(I)c1OCC(=O)OC
InChIInChI=1S/C12H12I2O6/c1-17-10(15)5-19-9-4-7(13)3-8(14)12(9)20-6-11(16)18-2/h3-4H,5-6H2,1-2H3
InChIKeyAXTYXTBLUVDEBB-UHFFFAOYSA-N
MW506.03 g/mol
LogP2.00
Rot. Bonds6

About methyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate

methyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate (PubChem CID 11466266) has the molecular formula C12H12I2O6 and a molecular weight of 506.03 g/mol. Its IUPAC name is methyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate
PubChem CID11466266
Molecular FormulaC12H12I2O6
Molecular Weight506.03 g/mol
Exact Mass505.87
IUPAC Namemethyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate
SMILESCOC(=O)COc1cc(I)cc(I)c1OCC(=O)OC
InChIInChI=1S/C12H12I2O6/c1-17-10(15)5-19-9-4-7(13)3-8(14)12(9)20-6-11(16)18-2/h3-4H,5-6H2,1-2H3
InChIKeyAXTYXTBLUVDEBB-UHFFFAOYSA-N
XLogP2.00
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.03
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate
CID 167145356
ethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate
CID 22485514
2-(2,4,6-triiodophenoxy)acetohydrazide
CID 63576981
methyl 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-iodo-6-methoxyphenoxy]acetate
CID 168535781
[3-iodo-5-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methyl-(2-phenylethyl)azanium
CID 2237530
methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55771551
methyl 2-(2,6-difluoro-4-formylphenoxy)acetate
CID 79891826
3-methyl-4-(2,4,6-triiodophenoxy)but-2-enoic acid
CID 77005576
CID 58544147
CID 58544147
methyl 2-[2-ethoxy-6-iodo-4-[(Z)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate
CID 19665689
methyl 2-[4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenoxy]acetate
CID 168555138
2-[2-(2,4,6-triiodophenoxy)acetyl]oxyethanesulfonate
CID 153471819

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate?
The IUPAC name of methyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate (CID 11466266) is methyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate?
The canonical SMILES for methyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate is COC(=O)COc1cc(I)cc(I)c1OCC(=O)OC.
What is the InChIKey of methyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate?
The InChIKey is AXTYXTBLUVDEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12I2O6/c1-17-10(15)5-19-9-4-7(13)3-8(14)12(9)20-6-11(16)18-2/h3-4H,5-6H2,1-2H3.
What are the key properties of methyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate?
methyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate has a molecular weight of 506.03 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate is sourced from PubChem (CID 11466266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).