(5-methyl-2-phenylfuran-3-yl)methanol

• ChemBase ID: 92828
• Molecular Formular: C12H12O2
• Molecular Mass: 188.22248
• Monoisotopic Mass: 188.08372962
• SMILES: o1c(c(cc1C)CO)c1ccccc1
• Canonical SMILES: OCc1cc(oc1c1ccccc1)C
• InChI: InChI=1S/C12H12O2/c1-9-7-11(8-13)12(14-9)10-5-3-2-4-6-10/h2-7,13H,8H2,1H3
• InChIKey: VZFFMWAZPODJRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methyl-2-phenylfuran-3-yl)methanol
• IUPAC Traditional name: (5-methyl-2-phenylfuran-3-yl)methanol
• Synonyms: (5-methyl-2-phenyl-3-furyl)methanol; (5-Methyl-2-phenyl-3-furyl)methanol 95%

Database IDs

• CAS Number: 183210-33-5
• MDL Number: MFCD08435905
• PubChem SID: 162079526
• PubChem CID: 15269738

CALCULATED PROPERTIES

• Acid pKa: 14.837695
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1129293
• LogD (pH = 7.4): 2.1129293
• Log P: 2.1129293
• Molar Refractivity: 55.5507 cm^3
• Polarizability: 22.393938 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55.5-58.5°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%