2,3-dihydro-1-benzofuran-3-ol

• ChemBase ID: 241678
• Molecular Formular: C8H8O2
• Molecular Mass: 136.14792
• Monoisotopic Mass: 136.0524295
• SMILES: c12c(OCC1O)cccc2
• Canonical SMILES: OC1COc2c1cccc2
• InChI: InChI=1S/C8H8O2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7,9H,5H2
• InChIKey: KCEBFJYAAKTMFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1-benzofuran-3-ol
• IUPAC Traditional name: 2,3-dihydro-1-benzofuran-3-ol
• Synonyms: 2,3-dihydro-1-benzofuran-3-ol

Database IDs

• MDL Number: MFCD18450778
• PubChem SID: 164297588
• PubChem CID: 585896

CALCULATED PROPERTIES

• Acid pKa: 13.432394
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.93646693
• LogD (pH = 7.4): 0.9364665
• Log P: 0.93646693
• Molar Refractivity: 37.0383 cm^3
• Polarizability: 14.570184 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.858

Product Information

• Purity: 95%