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

• ChemBase ID: 296597
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: CCOc1ccc(cc1)C(C)O
• Canonical SMILES: CCOc1ccc(cc1)C(O)C
• InChI: InChI=1S/C10H14O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-8,11H,3H2,1-2H3
• InChIKey: GKGQWBJLOYXULB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 52067-36-4
• MDL Number: MFCD08062382
• PubChem SID: 180682128
• PubChem CID: 13891147

CALCULATED PROPERTIES

• Acid pKa: 14.811891
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8216077
• LogD (pH = 7.4): 1.8216077
• Log P: 1.8216077
• Molar Refractivity: 48.5045 cm^3
• Polarizability: 18.982668 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46-47°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%