(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol

• ChemBase ID: 62020
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: O1c2c(CC1C)cc(cc2)CO
• Canonical SMILES: OCc1ccc2c(c1)CC(O2)C
• InChI: InChI=1S/C10H12O2/c1-7-4-9-5-8(6-11)2-3-10(9)12-7/h2-3,5,7,11H,4,6H2,1H3
• InChIKey: OFKLNIJKLDJVRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
• IUPAC Traditional name: (2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
• Synonyms: (2-Methyl-2,3-dihydro-benzofuran-5-yl)-methanol

Database IDs

• MDL Number: MFCD09157554
• PubChem SID: 162027759
• PubChem CID: 20163670

CALCULATED PROPERTIES

• Acid pKa: 15.0397625
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5046883
• LogD (pH = 7.4): 1.5046883
• Log P: 1.5046883
• Molar Refractivity: 47.0655 cm^3
• Polarizability: 18.173367 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false