6-bromo-1,2,3,4-tetrahydronaphthalen-2-ol

• ChemBase ID: 260101
• Molecular Formular: C10H11BrO
• Molecular Mass: 227.09774
• Monoisotopic Mass: 225.99932697
• SMILES: c12c(CC(CC2)O)ccc(c1)Br
• Canonical SMILES: OC1CCc2c(C1)ccc(c2)Br
• InChI: InChI=1S/C10H11BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5,10,12H,2,4,6H2
• InChIKey: GFAONWSTEKWMAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-1,2,3,4-tetrahydronaphthalen-2-ol
• IUPAC Traditional name: 6-bromo-1,2,3,4-tetrahydronaphthalen-2-ol
• Synonyms: 6-bromo-1,2,3,4-tetrahydronaphthalen-2-ol

Database IDs

• MDL Number: MFCD08059221
• PubChem SID: 164316011
• PubChem CID: 18377805

CALCULATED PROPERTIES

• Acid pKa: 15.141522
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8075342
• LogD (pH = 7.4): 2.8075342
• Log P: 2.8075342
• Molar Refractivity: 52.8325 cm^3
• Polarizability: 20.199661 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.64

Product Information

• Purity: 95%