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

• ChemBase ID: 80478
• Molecular Formular: C9H10O2
• Molecular Mass: 150.1745
• Monoisotopic Mass: 150.06807956
• SMILES: O1c2c(cc(cc2)CO)CC1
• Canonical SMILES: OCc1ccc2c(c1)CCO2
• InChI: InChI=1S/C9H10O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5,10H,3-4,6H2
• InChIKey: XQDNBMXUZGAWSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1-benzofuran-5-ylmethanol
• IUPAC Traditional name: 2,3-dihydro-1-benzofuran-5-ylmethanol
• Synonyms: (2,3-Dihydro-1-benzofuran-5-yl)methanol; 2,3-Dihydro-5-(hydroxymethyl)benzo[b]furan; 2,3-dihydro-1-benzofuran-5-ylmethanol

Database IDs

• CAS Number: 103262-35-7
• MDL Number: MFCD02169755
• PubChem SID: 162067598
• PubChem CID: 2776158

CALCULATED PROPERTIES

• Acid pKa: 15.042348
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0881133
• LogD (pH = 7.4): 1.0881133
• Log P: 1.0881133
• Molar Refractivity: 42.6467 cm^3
• Polarizability: 16.33262 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.158

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%