ethyl 2-(4-iodophenoxy)acetate

• ChemBase ID: 810701
• Molecular Formular: C10H11IO3
• Molecular Mass: 306.09701
• Monoisotopic Mass: 305.97529221
• SMILES: C(C(=O)OCC)Oc1ccc(cc1)I
• Canonical SMILES: CCOC(=O)COc1ccc(cc1)I
• InChI: InChI=1S/C10H11IO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3
• InChIKey: LSDOOFJZRXYLSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-iodophenoxy)acetate
• IUPAC Traditional name: ethyl 2-(4-iodophenoxy)acetate
• Synonyms: (4-IODOPHENOXY) ACETIC ACID ETHYL ESTER

Database IDs

• CAS Number: 90794-33-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7252042
• LogD (pH = 7.4): 2.7252042
• Log P: 2.7252042
• Molar Refractivity: 61.486 cm^3
• Polarizability: 24.37575 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%