2-(1-benzofuran-3-yl)ethan-1-ol

• ChemBase ID: 92513
• Molecular Formular: C10H10O2
• Molecular Mass: 162.1852
• Monoisotopic Mass: 162.06807956
• SMILES: o1cc(c2c1cccc2)CCO
• Canonical SMILES: OCCc1coc2c1cccc2
• InChI: InChI=1S/C10H10O2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2
• InChIKey: QBEGKDXITSPUTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-benzofuran-3-yl)ethan-1-ol
• IUPAC Traditional name: 2-(1-benzofuran-3-yl)ethanol
• Synonyms: 2-benzo[b]furan-3-ylethanol; 2-(Benzofuran-3-yl)ethanol; 2-Benzo[b]furan-3-ylethanol 95%

Database IDs

• CAS Number: 75611-06-2
• MDL Number: MFCD08271904
• PubChem SID: 162079211
• PubChem CID: 10953836

CALCULATED PROPERTIES

• Acid pKa: 15.698297
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6536807
• LogD (pH = 7.4): 1.6536807
• Log P: 1.6536807
• Molar Refractivity: 46.47 cm^3
• Polarizability: 18.941746 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%; 95+%