1-(2,3-dihydro-1-benzofuran-5-yl)ethan-1-ol

• ChemBase ID: 264807
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: c1c(ccc2c1CCO2)C(O)C
• Canonical SMILES: CC(c1ccc2c(c1)CCO2)O
• InChI: InChI=1S/C10H12O2/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-3,6-7,11H,4-5H2,1H3
• InChIKey: WCRSIAJZAWLIAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dihydro-1-benzofuran-5-yl)ethan-1-ol
• IUPAC Traditional name: 1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
• Synonyms: 1-(2,3-dihydro-1-benzofuran-5-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD12047714
• PubChem SID: 164320717
• PubChem CID: 43753529

CALCULATED PROPERTIES

• Acid pKa: 14.828319
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5046883
• LogD (pH = 7.4): 1.5046883
• Log P: 1.5046883
• Molar Refractivity: 47.0655 cm^3
• Polarizability: 18.17326 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.467

Product Information

• Purity: 95%