(7-methoxy-1-benzofuran-2-yl)methanol

• ChemBase ID: 116503
• Molecular Formular: C10H10O3
• Molecular Mass: 178.1846
• Monoisotopic Mass: 178.06299418
• SMILES: c12oc(cc1cccc2OC)CO
• Canonical SMILES: COc1cccc2c1oc(c2)CO
• InChI: InChI=1S/C10H10O3/c1-12-9-4-2-3-7-5-8(6-11)13-10(7)9/h2-5,11H,6H2,1H3
• InChIKey: VXDZMYNEZZENIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7-methoxy-1-benzofuran-2-yl)methanol
• IUPAC Traditional name: (7-methoxy-1-benzofuran-2-yl)methanol
• Synonyms: (7-Methoxy-1-benzofuran-2-yl)methanol

Database IDs

• CAS Number: 75566-54-0
• MDL Number: MFCD12047731
• PubChem SID: 162101218
• PubChem CID: 11788606

CALCULATED PROPERTIES

• Acid pKa: 13.751019
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1273493
• LogD (pH = 7.4): 1.1273491
• Log P: 1.1273493
• Molar Refractivity: 48.0557 cm^3
• Polarizability: 19.681183 Å^3
• Polar Surface Area: 42.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.303

Product Information

• Purity: 95+%