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

• ChemBase ID: 275154
• Molecular Formular: C10H10O2
• Molecular Mass: 162.1852
• Monoisotopic Mass: 162.06807956
• SMILES: c1(c(c2c(o1)cccc2)C)CO
• Canonical SMILES: OCc1oc2c(c1C)cccc2
• InChI: InChI=1S/C10H10O2/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-5,11H,6H2,1H3
• InChIKey: BPIHBHUOKWCMGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methyl-1-benzofuran-2-yl)methanol
• IUPAC Traditional name: (3-methyl-1-benzofuran-2-yl)methanol
• Synonyms: (3-methyl-1-benzofuran-2-yl)methanol

Database IDs

• MDL Number: MFCD15146108
• PubChem SID: 164331064
• PubChem CID: 10241108

CALCULATED PROPERTIES

• Acid pKa: 13.7479105
• 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: 18.939209 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.113

Product Information

• Purity: 95%