4-[(4-iodophenyl)methyl]morpholine

• ChemBase ID: 88017
• Molecular Formular: C11H14INO
• Molecular Mass: 303.13943
• Monoisotopic Mass: 303.01201207
• SMILES: N1(Cc2ccc(cc2)I)CCOCC1
• Canonical SMILES: Ic1ccc(cc1)CN1CCOCC1
• InChI: InChI=1S/C11H14INO/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9H2
• InChIKey: IYDFKIKPNVVXQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-iodophenyl)methyl]morpholine
• IUPAC Traditional name: 4-[(4-iodophenyl)methyl]morpholine
• Synonyms: 4-(4-Iodobenzyl)morpholine

Database IDs

• CAS Number: 299159-27-6
• MDL Number: MFCD04974051
• PubChem SID: 162075057
• PubChem CID: 2795500

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.522299
• LogD (pH = 7.4): 2.6236289
• Log P: 2.6250865
• Molar Refractivity: 67.0377 cm^3
• Polarizability: 26.08991 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%