(7-methoxy-1-benzofuran-5-yl)methanol

• ChemBase ID: 305338
• Molecular Formular: C10H10O3
• Molecular Mass: 178.1846
• Monoisotopic Mass: 178.06299418
• SMILES: c1(cc(c2c(c1)cco2)OC)CO
• Canonical SMILES: COc1cc(CO)cc2c1occ2
• InChI: InChI=1S/C10H10O3/c1-12-9-5-7(6-11)4-8-2-3-13-10(8)9/h2-5,11H,6H2,1H3
• InChIKey: NIOKZQQSRJOMAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7-methoxy-1-benzofuran-5-yl)methanol
• IUPAC Traditional name: (7-methoxy-1-benzofuran-5-yl)methanol
• Synonyms: 5-Hydroxymethyl-7-methoxybenzofuran

Database IDs

• CAS Number: 831222-78-7

CALCULATED PROPERTIES

• Acid pKa: 14.770626
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2073482
• LogD (pH = 7.4): 1.2073481
• Log P: 1.2073482
• Molar Refractivity: 48.1782 cm^3
• Polarizability: 19.679176 Å^3
• Polar Surface Area: 42.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder