2-ethoxy-3-(4-iodophenyl)propanoic acid

C11H13IO3 — CID 133245448

IUPAC2-ethoxy-3-(4-iodophenyl)propanoic acid
SMILESCCOC(Cc1ccc(I)cc1)C(=O)O
InChIInChI=1S/C11H13IO3/c1-2-15-10(11(13)14)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3,(H,13,14)
InChIKeyUESUDIUEENRMOW-UHFFFAOYSA-N
MW320.13 g/mol
LogP2.32
Rot. Bonds5

About 2-ethoxy-3-(4-iodophenyl)propanoic acid

2-ethoxy-3-(4-iodophenyl)propanoic acid (PubChem CID 133245448) has the molecular formula C11H13IO3 and a molecular weight of 320.13 g/mol. Its IUPAC name is 2-ethoxy-3-(4-iodophenyl)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(4-iodophenyl)propanoic acid
PubChem CID133245448
Molecular FormulaC11H13IO3
Molecular Weight320.13 g/mol
Exact Mass319.99
IUPAC Name2-ethoxy-3-(4-iodophenyl)propanoic acid
SMILESCCOC(Cc1ccc(I)cc1)C(=O)O
InChIInChI=1S/C11H13IO3/c1-2-15-10(11(13)14)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3,(H,13,14)
InChIKeyUESUDIUEENRMOW-UHFFFAOYSA-N
XLogP2.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-3-phenylpropanoic acid
CID 54403311
3-(4-chlorophenyl)-2-ethoxypropanoic acid
CID 84726078
2-ethoxy-3-(4-methoxyphenyl)propanoic acid
CID 11183680
3-[4-(2,2-diethoxyethoxy)phenyl]-2-ethoxypropanoic acid
CID 70033606
3-(3,5-dimethylphenyl)-2-ethoxypropanoic acid
CID 133237900
(2S)-2-ethoxy-3-thiophen-3-ylpropanoic acid
CID 11608110
3-[4-[2-(4-benzylphenoxy)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 141125255
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
2-ethoxy-3-(3-methylphenyl)propanoic acid
CID 84722685
(2R)-2-(4-tert-butylphenoxy)-3-(4-iodophenyl)propanoic acid
CID 100535777
(2S)-3-(4-iodophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100535647
2-ethoxy-3-(1H-indol-6-yl)propanoic acid
CID 22485680

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-iodophenyl)propanoic acid?
The IUPAC name of 2-ethoxy-3-(4-iodophenyl)propanoic acid (CID 133245448) is 2-ethoxy-3-(4-iodophenyl)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(4-iodophenyl)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(4-iodophenyl)propanoic acid is CCOC(Cc1ccc(I)cc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(4-iodophenyl)propanoic acid?
The InChIKey is UESUDIUEENRMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO3/c1-2-15-10(11(13)14)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3,(H,13,14).
What are the key properties of 2-ethoxy-3-(4-iodophenyl)propanoic acid?
2-ethoxy-3-(4-iodophenyl)propanoic acid has a molecular weight of 320.13 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-iodophenyl)propanoic acid is sourced from PubChem (CID 133245448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).