3-(4-iodophenyl)-2H-chromen-2-one

• ChemBase ID: 311144
• Molecular Formular: C15H9IO2
• Molecular Mass: 348.13523
• Monoisotopic Mass: 347.96472753
• SMILES: c1(c(=O)oc2c(c1)cccc2)c1ccc(cc1)I
• Canonical SMILES: Ic1ccc(cc1)c1cc2ccccc2oc1=O
• InChI: InChI=1S/C15H9IO2/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-9H
• InChIKey: SECODLMNIMINDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-iodophenyl)-2H-chromen-2-one
• IUPAC Traditional name: 3-(4-iodophenyl)chromen-2-one
• Synonyms: 3-(4-iodophenyl)-2H-chromen-2-one

Database IDs

• CAS Number: 25229-74-7
• MDL Number: MFCD01179324

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.380392
• LogD (pH = 7.4): 4.380392
• Log P: 4.380392
• Molar Refractivity: 79.3632 cm^3
• Polarizability: 30.388607 Å^3
• Polar Surface Area: 26.3 Å^2