1-benzofuran-5-ol

• ChemBase ID: 88715
• Molecular Formular: C8H6O2
• Molecular Mass: 134.13204
• Monoisotopic Mass: 134.03677943
• SMILES: Oc1ccc2c(c1)cco2
• Canonical SMILES: Oc1ccc2c(c1)cco2
• InChI: InChI=1S/C8H6O2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,9H
• InChIKey: IZFOPMSVNDORMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzofuran-5-ol
• IUPAC Traditional name: 1-benzofuran-5-ol
• Synonyms: Benzo[b]furan-5-ol; 5-Hydroxybenzo[b]furan

Database IDs

• CAS Number: 13196-10-6
• PubChem SID: 162075634
• PubChem CID: 11651159

CALCULATED PROPERTIES

• Acid pKa: 9.463432
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8287569
• LogD (pH = 7.4): 1.8250909
• Log P: 1.8288039
• Molar Refractivity: 36.88 cm^3
• Polarizability: 15.314968 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant