1-ethoxy-2-iodobenzene

• ChemBase ID: 243624
• Molecular Formular: C8H9IO
• Molecular Mass: 248.06093
• Monoisotopic Mass: 247.96981291
• SMILES: c1(c(OCC)cccc1)I
• Canonical SMILES: CCOc1ccccc1I
• InChI: InChI=1S/C8H9IO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
• InChIKey: JUJREUXKABNEFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxy-2-iodobenzene
• IUPAC Traditional name: 1-ethoxy-2-iodobenzene
• Synonyms: 1-ethoxy-2-iodobenzene

Database IDs

• MDL Number: MFCD12547815
• PubChem SID: 164299534
• PubChem CID: 136415

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.101327
• LogD (pH = 7.4): 3.101327
• Log P: 3.101327
• Molar Refractivity: 50.6323 cm^3
• Polarizability: 19.823668 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.573

Product Information

• Purity: 95%