(1R)-1-[4-(benzyloxy)phenyl]ethan-1-ol

• ChemBase ID: 280634
• Molecular Formular: C15H16O2
• Molecular Mass: 228.28634
• Monoisotopic Mass: 228.11502975
• SMILES: c1(ccc(OCc2ccccc2)cc1)[C@H](O)C
• Canonical SMILES: C[C@H](c1ccc(cc1)OCc1ccccc1)O
• InChI: InChI=1S/C15H16O2/c1-12(16)14-7-9-15(10-8-14)17-11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3/t12-/m1/s1
• InChIKey: NWTDSFYWJCAKFF-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-[4-(benzyloxy)phenyl]ethan-1-ol
• IUPAC Traditional name: (1R)-1-[4-(benzyloxy)phenyl]ethanol
• Synonyms: (1R)-1-[4-(benzyloxy)phenyl]ethanol

Database IDs

• MDL Number: MFCD09863702
• PubChem SID: 180666165
• PubChem CID: 13524519

CALCULATED PROPERTIES

• Acid pKa: 14.810252
• 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: 26.75234 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%