[2-(furan-2-yl)phenyl]methanol

• ChemBase ID: 92622
• Molecular Formular: C11H10O2
• Molecular Mass: 174.1959
• Monoisotopic Mass: 174.06807956
• SMILES: o1cccc1c1ccccc1CO
• Canonical SMILES: OCc1ccccc1c1ccco1
• InChI: InChI=1S/C11H10O2/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-7,12H,8H2
• InChIKey: NBLMKRIYULDNBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(furan-2-yl)phenyl]methanol
• IUPAC Traditional name: [2-(furan-2-yl)phenyl]methanol
• Synonyms: [2-(2-furyl)phenyl]methanol; [2-(Fur-2-yl)phenyl]methanol; 2-(Fur-2-yl)benzyl alcohol 97%

Database IDs

• CAS Number: 139697-88-4
• MDL Number: MFCD06203101
• PubChem SID: 162079320
• PubChem CID: 10855985

CALCULATED PROPERTIES

• Acid pKa: 15.070714
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9133681
• LogD (pH = 7.4): 1.913368
• Log P: 1.9133681
• Molar Refractivity: 50.401 cm^3
• Polarizability: 20.628414 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85-86.5°C

Safety Information

• Storage Warning: Harmful/Toxic

Product Information

• Purity: 97%