methyl 3-(4-iodophenoxy)-2-methylpropanoate

C11H13IO3 — CID 43538009

IUPACmethyl 3-(4-iodophenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)COc1ccc(I)cc1
InChIInChI=1S/C11H13IO3/c1-8(11(13)14-2)7-15-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3
InChIKeyUWHUGVBCLURBLF-UHFFFAOYSA-N
MW320.13 g/mol
LogP2.48
Rot. Bonds4

About methyl 3-(4-iodophenoxy)-2-methylpropanoate

methyl 3-(4-iodophenoxy)-2-methylpropanoate (PubChem CID 43538009) has the molecular formula C11H13IO3 and a molecular weight of 320.13 g/mol. Its IUPAC name is methyl 3-(4-iodophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4-iodophenoxy)-2-methylpropanoate
PubChem CID43538009
Molecular FormulaC11H13IO3
Molecular Weight320.13 g/mol
Exact Mass319.99
IUPAC Namemethyl 3-(4-iodophenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)COc1ccc(I)cc1
InChIInChI=1S/C11H13IO3/c1-8(11(13)14-2)7-15-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3
InChIKeyUWHUGVBCLURBLF-UHFFFAOYSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 52.48
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 3-(4-chlorophenoxy)-2-methylpropanoate
CID 43537622
methyl 2-methyl-3-(4-propanoylphenoxy)propanoate
CID 43537743
1-(4-iodophenoxy)propan-2-yl carbamate
CID 175114325
1-(4-iodophenoxy)propan-2-ol
CID 65277775
methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate
CID 43402742
methyl 2-[[2-(4-iodophenoxy)acetyl]amino]-3-methylpentanoate
CID 112791594
methyl 2-acetamido-3-(4-methylphenoxy)propanoate
CID 65444167
methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate
CID 43537890
methyl 2-[4-(2-methylpropoxy)phenyl]propanoate
CID 135079153
methyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate
CID 139911211
ethyl 3-(4-ethylphenoxy)-2-methylpropanoate
CID 115002229
methyl 2-methyl-3-(2-methylphenoxy)propanoate
CID 43537668

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-iodophenoxy)-2-methylpropanoate?
The IUPAC name of methyl 3-(4-iodophenoxy)-2-methylpropanoate (CID 43538009) is methyl 3-(4-iodophenoxy)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(4-iodophenoxy)-2-methylpropanoate?
The canonical SMILES for methyl 3-(4-iodophenoxy)-2-methylpropanoate is COC(=O)C(C)COc1ccc(I)cc1.
What is the InChIKey of methyl 3-(4-iodophenoxy)-2-methylpropanoate?
The InChIKey is UWHUGVBCLURBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO3/c1-8(11(13)14-2)7-15-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3.
What are the key properties of methyl 3-(4-iodophenoxy)-2-methylpropanoate?
methyl 3-(4-iodophenoxy)-2-methylpropanoate has a molecular weight of 320.13 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-iodophenoxy)-2-methylpropanoate is sourced from PubChem (CID 43538009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).