(1R)-1-[2-(benzyloxy)phenyl]ethan-1-ol

• ChemBase ID: 268202
• Molecular Formular: C15H16O2
• Molecular Mass: 228.28634
• Monoisotopic Mass: 228.11502975
• SMILES: c1(c(OCc2ccccc2)cccc1)[C@H](O)C
• Canonical SMILES: C[C@H](c1ccccc1OCc1ccccc1)O
• InChI: InChI=1S/C15H16O2/c1-12(16)14-9-5-6-10-15(14)17-11-13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3/t12-/m1/s1
• InChIKey: ZCLOSPAJWAFSDG-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-[2-(benzyloxy)phenyl]ethan-1-ol
• IUPAC Traditional name: (1R)-1-[2-(benzyloxy)phenyl]ethanol
• Synonyms: (1R)-1-[2-(benzyloxy)phenyl]ethan-1-ol

Database IDs

• MDL Number: MFCD09863700
• PubChem SID: 164324112
• PubChem CID: 25324333

CALCULATED PROPERTIES

• Acid pKa: 14.542864
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1892729
• LogD (pH = 7.4): 3.1892729
• Log P: 3.1892729
• Molar Refractivity: 68.3685 cm^3
• Polarizability: 26.752682 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.1

Product Information

• Purity: 95%