4-(2-iodophenoxy)oxane

• ChemBase ID: 101339
• Molecular Formular: C11H13IO2
• Molecular Mass: 304.12419
• Monoisotopic Mass: 303.99602766
• SMILES: c1(OC2CCOCC2)c(I)cccc1
• Canonical SMILES: Ic1ccccc1OC1CCOCC1
• InChI: InChI=1S/C11H13IO2/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9H,5-8H2
• InChIKey: ADTBIBCNKWWYRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-iodophenoxy)oxane
• IUPAC Traditional name: 4-(2-iodophenoxy)oxane
• Synonyms: 4-(2-iodophenoxy)tetrahydropyran

Database IDs

• CAS Number: 906352-70-3
• MDL Number: MFCD09064961
• PubChem SID: 162087948
• PubChem CID: 21981312

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7057052
• LogD (pH = 7.4): 2.7057052
• Log P: 2.7057052
• Molar Refractivity: 64.3592 cm^3
• Polarizability: 25.324389 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%