(1R)-1-(3-bromophenyl)ethan-1-ol

• ChemBase ID: 266637
• Molecular Formular: C8H9BrO
• Molecular Mass: 201.06046
• Monoisotopic Mass: 199.98367691
• SMILES: c1(cc(Br)ccc1)[C@H](O)C
• Canonical SMILES: Brc1cccc(c1)[C@H](O)C
• InChI: InChI=1S/C8H9BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3/t6-/m1/s1
• InChIKey: ULMJQMDYAOJNCC-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(3-bromophenyl)ethan-1-ol
• IUPAC Traditional name: (1R)-1-(3-bromophenyl)ethanol
• Synonyms: (1R)-1-(3-bromophenyl)ethan-1-ol

Database IDs

• MDL Number: MFCD06658929
• PubChem SID: 164322547
• PubChem CID: 2734889

CALCULATED PROPERTIES

• Acid pKa: 14.733875
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3912237
• LogD (pH = 7.4): 2.3912237
• Log P: 2.3912237
• Molar Refractivity: 44.9155 cm^3
• Polarizability: 17.406967 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.276

Product Information

• Purity: 95%