5-iodo-1,2,3,4-tetrahydronaphthalene

• ChemBase ID: 238340
• Molecular Formular: C10H11I
• Molecular Mass: 258.09881
• Monoisotopic Mass: 257.99054835
• SMILES: c12c(I)cccc1CCCC2
• Canonical SMILES: Ic1cccc2c1CCCC2
• InChI: InChI=1S/C10H11I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2
• InChIKey: FBCNACVFOFCZHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodo-1,2,3,4-tetrahydronaphthalene
• IUPAC Traditional name: 1-iodo-5,6,7,8-tetrahydronaphthalene
• Synonyms: 5-iodo-1,2,3,4-tetrahydronaphthalene; 5-Iodo-1,2,3,4-tetrahydro-naphthalene

Database IDs

• MDL Number: MFCD11183300
• PubChem SID: 164294250
• PubChem CID: 582947

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3544445
• LogD (pH = 7.4): 4.3544445
• Log P: 4.3544445
• Molar Refractivity: 56.9027 cm^3
• Polarizability: 21.85055 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.837

Product Information

• Purity: 95%; 97%