8-(4-iodophenoxymethyl)quinoline

• ChemBase ID: 239050
• Molecular Formular: C16H12INO
• Molecular Mass: 361.17705
• Monoisotopic Mass: 360.99636201
• SMILES: c12c(COc3ccc(I)cc3)cccc2cccn1
• Canonical SMILES: Ic1ccc(cc1)OCc1cccc2c1nccc2
• InChI: InChI=1S/C16H12INO/c17-14-6-8-15(9-7-14)19-11-13-4-1-3-12-5-2-10-18-16(12)13/h1-10H,11H2
• InChIKey: LQMSNRSTHJSBTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(4-iodophenoxymethyl)quinoline
• IUPAC Traditional name: 8-(4-iodophenoxymethyl)quinoline
• Synonyms: 8-(4-iodophenoxymethyl)quinoline

Database IDs

• MDL Number: MFCD13202772
• PubChem SID: 164294960
• PubChem CID: 41697658

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.614091
• LogD (pH = 7.4): 4.6264863
• Log P: 4.626647
• Molar Refractivity: 84.4176 cm^3
• Polarizability: 33.97772 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.979

Product Information

• Purity: 95%