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

• ChemBase ID: 24752
• Molecular Formular: C9H10O2
• Molecular Mass: 150.1745
• Monoisotopic Mass: 150.06807956
• SMILES: O1c2c(CC1CO)cccc2
• Canonical SMILES: OCC1Cc2c(O1)cccc2
• InChI: InChI=1S/C9H10O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,8,10H,5-6H2
• InChIKey: ITMGMSZDAOAVNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1-benzofuran-2-ylmethanol
• IUPAC Traditional name: 2,3-dihydro-1-benzofuran-2-ylmethanol
• Synonyms: (2,3-Dihydro-1-benzofuran-2-yl)methanol; 2-(Hydroxymethyl)-2,3-dihydro-1-benzofuran 97%; (2,3-dihydrobenzofuran-2-yl)methanol; 2,3-Dihydro-1-benzofuran-2-ylmethanol

Database IDs

• CAS Number: 66158-96-1
• MDL Number: MFCD03086171
• PubChem SID: 160988059
• PubChem CID: 2795428

CALCULATED PROPERTIES

• Acid pKa: 14.6473675
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2251282
• LogD (pH = 7.4): 1.225128
• Log P: 1.2251282
• Molar Refractivity: 41.7933 cm^3
• Polarizability: 16.338596 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 136°C
• Hydrophobicity(logP): 1.246

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%