1,3-dihydro-2-benzofuran-5-ylmethanol

• ChemBase ID: 238940
• Molecular Formular: C9H10O2
• Molecular Mass: 150.1745
• Monoisotopic Mass: 150.06807956
• SMILES: c12c(ccc(c1)CO)COC2
• Canonical SMILES: OCc1ccc2c(c1)COC2
• InChI: InChI=1S/C9H10O2/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-3,10H,4-6H2
• InChIKey: VPKXUXMJVPZFBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dihydro-2-benzofuran-5-ylmethanol
• IUPAC Traditional name: 1,3-dihydro-2-benzofuran-5-ylmethanol
• Synonyms: 1,3-dihydro-2-benzofuran-5-ylmethanol

Database IDs

• MDL Number: MFCD18876568
• PubChem SID: 164294850
• PubChem CID: 19809558

CALCULATED PROPERTIES

• Acid pKa: 14.959152
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8329001
• LogD (pH = 7.4): 0.83290005
• Log P: 0.8329001
• Molar Refractivity: 42.9956 cm^3
• Polarizability: 16.414827 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.588

Product Information

• Purity: 95%