3-phenoxyfuran

• ChemBase ID: 92451
• Molecular Formular: C10H8O2
• Molecular Mass: 160.16932
• Monoisotopic Mass: 160.0524295
• SMILES: o1ccc(c1)Oc1ccccc1
• Canonical SMILES: c1ccc(cc1)Oc1cocc1
• InChI: InChI=1S/C10H8O2/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h1-8H
• InChIKey: NVWFUVMWGOXULH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenoxyfuran
• IUPAC Traditional name: 3-phenoxyfuran
• Synonyms: 3-Phenoxyfuran 97%

Database IDs

• CAS Number: 63285-86-9
• MDL Number: MFCD08235272
• PubChem SID: 162079149
• PubChem CID: 12356546

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6137786
• LogD (pH = 7.4): 2.6137786
• Log P: 2.6137786
• Molar Refractivity: 44.8122 cm^3
• Polarizability: 17.516144 Å^3
• Polar Surface Area: 22.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true