2,3-dihydro-1-benzofuran-7-ylmethanol

• ChemBase ID: 101066
• Molecular Formular: C9H10O2
• Molecular Mass: 150.1745
• Monoisotopic Mass: 150.06807956
• SMILES: c12c(CO)cccc2CCO1
• Canonical SMILES: OCc1cccc2c1OCC2
• InChI: InChI=1S/C9H10O2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-3,10H,4-6H2
• InChIKey: WUXXIPOWZJYRNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1-benzofuran-7-ylmethanol; (2,3-dihydro-1-benzofuran-7-yl)methanol
• IUPAC Traditional name: 2,3-dihydro-1-benzofuran-7-ylmethanol
• Synonyms: 2,3-Dihydrobenzo[b]furan-7-methanol; 2,3-Dihydrobenzofuran-7-methanol

Database IDs

• CAS Number: 151155-53-2
• MDL Number: MFCD06411535
• PubChem SID: 162086713
• PubChem CID: 2795020

CALCULATED PROPERTIES

• Acid pKa: 14.732088
• 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: 16.332926 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%