2,3-dihydro-1-benzofuran-6-ol

• ChemBase ID: 290016
• Molecular Formular: C8H8O2
• Molecular Mass: 136.14792
• Monoisotopic Mass: 136.0524295
• SMILES: Oc1ccc2CCOc2c1
• Canonical SMILES: Oc1ccc2c(c1)OCC2
• InChI: InChI=1S/C8H8O2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5,9H,3-4H2
• InChIKey: IAFNMXBIRZBSFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1-benzofuran-6-ol
• IUPAC Traditional name: 2,3-dihydro-1-benzofuran-6-ol
• Synonyms: 2,3-Dihydrobenzofuran-6-ol

Database IDs

• CAS Number: 23681-89-2
• PubChem SID: 180675547
• PubChem CID: 12236540

CALCULATED PROPERTIES

• Acid pKa: 9.747187
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5518733
• LogD (pH = 7.4): 1.549961
• Log P: 1.5518978
• Molar Refractivity: 37.8117 cm^3
• Polarizability: 14.483453 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%