(5-methyl-1-benzofuran-2-yl)methanol

• ChemBase ID: 274901
• Molecular Formular: C10H10O2
• Molecular Mass: 162.1852
• Monoisotopic Mass: 162.06807956
• SMILES: o1c(cc2c1ccc(c2)C)CO
• Canonical SMILES: OCc1cc2c(o1)ccc(c2)C
• InChI: InChI=1S/C10H10O2/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h2-5,11H,6H2,1H3
• InChIKey: FSDXPMZBNLRZNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methyl-1-benzofuran-2-yl)methanol
• IUPAC Traditional name: (5-methyl-1-benzofuran-2-yl)methanol
• Synonyms: (5-methyl-1-benzofuran-2-yl)methanol

Database IDs

• MDL Number: MFCD15146048
• PubChem SID: 164330811
• PubChem CID: 54593419

CALCULATED PROPERTIES

• Acid pKa: 13.700333
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.798442
• LogD (pH = 7.4): 1.7984418
• Log P: 1.798442
• Molar Refractivity: 46.6337 cm^3
• Polarizability: 18.938557 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.163

Product Information

• Purity: 95%