2-(4-ethoxyphenyl)ethan-1-ol

• ChemBase ID: 301991
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: CCOc1ccc(cc1)CCO
• Canonical SMILES: OCCc1ccc(cc1)OCC
• InChI: InChI=1S/C10H14O2/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6,11H,2,7-8H2,1H3
• InChIKey: CNMVSNTVPZWQMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethoxyphenyl)ethan-1-ol
• IUPAC Traditional name: 2-(4-ethoxyphenyl)ethanol
• Synonyms: p-Ethoxyphenethyl alcohol; 2-(4-Ethoxyphenyl)ethanol; 2-(4-乙氧基苯基)乙醇

Database IDs

• CAS Number: 22545-15-9
• EC Number: 245-072-6
• MDL Number: MFCD00016570
• Beilstein Number: 3239377

CALCULATED PROPERTIES

• Acid pKa: 15.907303
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.693694
• LogD (pH = 7.4): 1.693694
• Log P: 1.693694
• Molar Refractivity: 48.8407 cm^3
• Polarizability: 18.908741 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40-44°C
• Boiling Point: 138-141°C/8mm

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%