methyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate

C12H13IO4 — CID 167145356

IUPACmethyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate
SMILESC=Cc1cc(I)c(OCC(=O)OC)c(OC)c1
InChIInChI=1S/C12H13IO4/c1-4-8-5-9(13)12(10(6-8)15-2)17-7-11(14)16-3/h4-6H,1,7H2,2-3H3
InChIKeyFRWVYEJWFDWZCM-UHFFFAOYSA-N
MW348.14 g/mol
LogP2.49
Rot. Bonds5

About methyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate

methyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate (PubChem CID 167145356) has the molecular formula C12H13IO4 and a molecular weight of 348.14 g/mol. Its IUPAC name is methyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate
PubChem CID167145356
Molecular FormulaC12H13IO4
Molecular Weight348.14 g/mol
Exact Mass347.99
IUPAC Namemethyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate
SMILESC=Cc1cc(I)c(OCC(=O)OC)c(OC)c1
InChIInChI=1S/C12H13IO4/c1-4-8-5-9(13)12(10(6-8)15-2)17-7-11(14)16-3/h4-6H,1,7H2,2-3H3
InChIKeyFRWVYEJWFDWZCM-UHFFFAOYSA-N
XLogP2.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate 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

methyl 2-(4-ethenyl-2-methoxyphenoxy)acetate
CID 167145651
methyl 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-iodo-6-methoxyphenoxy]acetate
CID 168535781
methyl 2-[4-[(E)-(1-ethyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-iodo-6-methoxyphenoxy]acetate
CID 126237843
3-iodo-5-methoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 1247963
methyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 11466266
methyl 2-[4-[(E)-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-ylidene)methyl]-2-iodo-6-methoxyphenoxy]acetate
CID 126255495
methyl 2-[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-iodo-6-methoxyphenoxy]acetate
CID 124537111
2-[2-iodo-6-methoxy-4-(3-methoxy-2-methoxycarbonyl-3-oxoprop-1-enyl)phenoxy]acetic acid
CID 126066077
(4-ethenyl-2-iodo-6-methoxyphenyl) propyl carbonate
CID 174348031
methyl 2-[4-[(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-2-iodo-6-methoxyphenoxy]acetate
CID 2914791
methyl 2-[4-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-2-iodo-6-methoxyphenoxy]acetate
CID 126216386
tert-butyl 2-[5-[[3-iodo-5-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 3918562

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate?
The IUPAC name of methyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate (CID 167145356) is methyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate.
What is the SMILES notation for methyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate?
The canonical SMILES for methyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate is C=Cc1cc(I)c(OCC(=O)OC)c(OC)c1.
What is the InChIKey of methyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate?
The InChIKey is FRWVYEJWFDWZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IO4/c1-4-8-5-9(13)12(10(6-8)15-2)17-7-11(14)16-3/h4-6H,1,7H2,2-3H3.
What are the key properties of methyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate?
methyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate has a molecular weight of 348.14 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate is sourced from PubChem (CID 167145356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).