2-[4-(benzyloxy)phenyl]ethan-1-ol

• ChemBase ID: 161670
• Molecular Formular: C15H16O2
• Molecular Mass: 228.28634
• Monoisotopic Mass: 228.11502975
• SMILES: c1cc(ccc1CCO)OCc1ccccc1
• Canonical SMILES: OCCc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C15H16O2/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9,16H,10-12H2
• InChIKey: JCUJAHLWCDISCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(benzyloxy)phenyl]ethan-1-ol
• IUPAC Traditional name: 2-[4-(benzyloxy)phenyl]ethanol
• Synonyms: 4-(Phenylmethoxy)benzeneethanol; 2-(p-Benzyloxyphenyl)ethanol; 4-Benzyloxyphenethyl Alcohol; p-(Benzyloxy)phenethyl Alcohol; β-(p-Benzyloxyphenyl)ethyl Alcohol; 2-(4-Benzyloxyphenyl)ethanol; p-Benzyloxyphenethyl alcohol; 2-(4-Benzyloxyphenyl)ethanol; 2-(4-(Benzyloxy)phenyl)ethanol; 2-(4-苯甲氧基苯基)乙醇

Database IDs

• CAS Number: 61439-59-6
• EC Number: 262-795-2
• MDL Number: MFCD00017532
• Beilstein Number: 2054624
• PubChem SID: 162255805
• PubChem CID: 3017260

CALCULATED PROPERTIES

• Acid pKa: 15.906462
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0613592
• LogD (pH = 7.4): 3.0613592
• Log P: 3.0613592
• Molar Refractivity: 68.7047 cm^3
• Polarizability: 26.676949 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: White Solid
• Melting Point: 85-87°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95+%; 98+%

DETAILS

Toronto Research Chemicals - B287670

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