(5-phenoxyfuran-2-yl)methanol

• ChemBase ID: 92938
• Molecular Formular: C11H10O3
• Molecular Mass: 190.1953
• Monoisotopic Mass: 190.06299418
• SMILES: o1c(ccc1CO)Oc1ccccc1
• Canonical SMILES: OCc1ccc(o1)Oc1ccccc1
• InChI: InChI=1S/C11H10O3/c12-8-10-6-7-11(14-10)13-9-4-2-1-3-5-9/h1-7,12H,8H2
• InChIKey: UTPWFTKIYRTJLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-phenoxyfuran-2-yl)methanol
• IUPAC Traditional name: (5-phenoxyfuran-2-yl)methanol
• Synonyms: (Phenoxy-2-furyl)methanol; 2-(Hydroxymethyl)-5-phenoxyfuran 97%

Database IDs

• CAS Number: 51551-74-7
• MDL Number: MFCD08271913
• PubChem SID: 162079636
• PubChem CID: 7537560

CALCULATED PROPERTIES

• Acid pKa: 13.71824
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8557209
• LogD (pH = 7.4): 1.8557206
• Log P: 1.8557209
• Molar Refractivity: 50.7589 cm^3
• Polarizability: 19.981642 Å^3
• Polar Surface Area: 42.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic