1-iodo-4-methoxy-2,3-dimethylbenzene

• ChemBase ID: 294047
• Molecular Formular: C9H11IO
• Molecular Mass: 262.08751
• Monoisotopic Mass: 261.98546297
• SMILES: Cc1c(C)c(I)ccc1OC
• Canonical SMILES: COc1ccc(c(c1C)C)I
• InChI: InChI=1S/C9H11IO/c1-6-7(2)9(11-3)5-4-8(6)10/h4-5H,1-3H3
• InChIKey: HOIDZLKFAOGDFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodo-4-methoxy-2,3-dimethylbenzene
• IUPAC Traditional name: 1-iodo-4-methoxy-2,3-dimethylbenzene
• Synonyms: 1-Iodo-4-methoxy-2,3-dimethylbenzene

Database IDs

• CAS Number: 17938-70-4
• MDL Number: MFCD07779020
• PubChem SID: 180679578
• PubChem CID: 14112604

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7713618
• LogD (pH = 7.4): 3.7713618
• Log P: 3.7713618
• Molar Refractivity: 55.9661 cm^3
• Polarizability: 21.48457 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%