ethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate

C12H15IO5 — CID 22485514

IUPACethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate
SMILESCCOC(=O)COc1c(OC)cc(I)cc1OC
InChIInChI=1S/C12H15IO5/c1-4-17-11(14)7-18-12-9(15-2)5-8(13)6-10(12)16-3/h5-6H,4,7H2,1-3H3
InChIKeyVQBWIYGXQIVTSQ-UHFFFAOYSA-N
MW366.15 g/mol
LogP2.25
Rot. Bonds6

About ethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate

ethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate (PubChem CID 22485514) has the molecular formula C12H15IO5 and a molecular weight of 366.15 g/mol. Its IUPAC name is ethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate
PubChem CID22485514
Molecular FormulaC12H15IO5
Molecular Weight366.15 g/mol
Exact Mass366.00
IUPAC Nameethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate
SMILESCCOC(=O)COc1c(OC)cc(I)cc1OC
InChIInChI=1S/C12H15IO5/c1-4-17-11(14)7-18-12-9(15-2)5-8(13)6-10(12)16-3/h5-6H,4,7H2,1-3H3
InChIKeyVQBWIYGXQIVTSQ-UHFFFAOYSA-N
XLogP2.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.15
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2-ethoxy-2-oxoethoxy)-3-methoxybenzoic acid
CID 113438814
ethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate
CID 165355692
ethyl 4-iodo-2,6-dimethoxybenzoate
CID 22933011
ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate
CID 144536056
methyl 2-(2-ethoxy-2-oxoethoxy)-4-iodobenzoate
CID 67324883
ethyl 2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-iodo-6-methoxyphenoxy]acetate
CID 168599369
ethyl 2-[4-iodo-2-methoxy-6-[(Z)-[3-methyl-5-oxo-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-ylidene]methyl]phenoxy]acetate
CID 126042793
ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate
CID 43174180
ethyl 2-(4-iodo-2-methylphenoxy)acetate
CID 57361058
ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate
CID 60879110
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
ethyl 2-[2,6-dimethoxy-4-[(1-methylpyrrolidin-2-ylidene)methyl]phenoxy]acetate
CID 162117699

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate?
The IUPAC name of ethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate (CID 22485514) is ethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate.
What is the SMILES notation for ethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate?
The canonical SMILES for ethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate is CCOC(=O)COc1c(OC)cc(I)cc1OC.
What is the InChIKey of ethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate?
The InChIKey is VQBWIYGXQIVTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO5/c1-4-17-11(14)7-18-12-9(15-2)5-8(13)6-10(12)16-3/h5-6H,4,7H2,1-3H3.
What are the key properties of ethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate?
ethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate has a molecular weight of 366.15 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate is sourced from PubChem (CID 22485514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).