8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-ol

• ChemBase ID: 71984
• Molecular Formular: C12H8O2
• Molecular Mass: 184.19072
• Monoisotopic Mass: 184.0524295
• SMILES: o1c2c(cccc2)c2c1ccc(c2)O
• Canonical SMILES: Oc1ccc2c(c1)c1ccccc1o2
• InChI: InChI=1S/C12H8O2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,13H
• InChIKey: HGIDRHWWNZRUEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-oxatricyclo[7.4.0.0^2,^7]trideca-1(9),2(7),3,5,10,12-hexaen-4-ol
• IUPAC Traditional name: 2-hydroxydibenzofuran
• Synonyms: Dibenzo[b,d]furan-2-ol

Database IDs

• PubChem SID: 162103844
• PubChem CID: 66587

CALCULATED PROPERTIES

• Acid pKa: 9.344675
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.84762
• LogD (pH = 7.4): 2.8428082
• Log P: 2.8476818
• Molar Refractivity: 53.2077 cm^3
• Polarizability: 22.929644 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT