ethyl 3-(4-iodophenoxy)propanoate

• ChemBase ID: 285175
• Molecular Formular: C11H13IO3
• Molecular Mass: 320.12359
• Monoisotopic Mass: 319.99094228
• SMILES: C(=O)(CCOc1ccc(I)cc1)OCC
• Canonical SMILES: CCOC(=O)CCOc1ccc(cc1)I
• InChI: InChI=1S/C11H13IO3/c1-2-14-11(13)7-8-15-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3
• InChIKey: BKUFDQWZCQXIPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(4-iodophenoxy)propanoate
• IUPAC Traditional name: ethyl 3-(4-iodophenoxy)propanoate
• Synonyms: ethyl 3-(4-iodophenoxy)propanoate

Database IDs

• MDL Number: MFCD11652198
• PubChem SID: 180670706
• PubChem CID: 43365299

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.962217
• LogD (pH = 7.4): 2.962217
• Log P: 2.962217
• Molar Refractivity: 66.1854 cm^3
• Polarizability: 26.180912 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.877

Product Information

• Purity: 95%