5-iodonaphthalen-1-ol

• ChemBase ID: 81020
• Molecular Formular: C10H7IO
• Molecular Mass: 270.06645
• Monoisotopic Mass: 269.95416284
• SMILES: Oc1cccc2c(cccc12)I
• Canonical SMILES: Oc1cccc2c1cccc2I
• InChI: InChI=1S/C10H7IO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6,12H
• InChIKey: YLGOKRRRCVJVLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodonaphthalen-1-ol
• IUPAC Traditional name: 5-iodonaphthalen-1-ol
• Synonyms: 1-Hydroxy-5-iodonaphthalene; 5-Iodo-1-naphthol

Database IDs

• MDL Number: MFCD08234605
• PubChem SID: 162068139
• PubChem CID: 12336396

CALCULATED PROPERTIES

• Acid pKa: 9.546297
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.588063
• LogD (pH = 7.4): 3.585031
• Log P: 3.5881016
• Molar Refractivity: 57.8516 cm^3
• Polarizability: 23.420084 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant