2-[(furan-2-ylmethoxy)methyl]furan

• ChemBase ID: 291824
• Molecular Formular: C10H10O3
• Molecular Mass: 178.1846
• Monoisotopic Mass: 178.06299418
• SMILES: C(OCc1ccco1)c1ccco1
• Canonical SMILES: O(Cc1ccco1)Cc1ccco1
• InChI: InChI=1S/C10H10O3/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6H,7-8H2
• InChIKey: YEQMNLGBLPBBNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(furan-2-ylmethoxy)methyl]furan
• IUPAC Traditional name: 2-[(furan-2-ylmethoxy)methyl]furan
• Synonyms: 2,2'-(Oxybis(methylene))difuran

Database IDs

• CAS Number: 4437-22-3
• MDL Number: MFCD01725820
• PubChem SID: 180677355
• PubChem CID: 263034

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6939889
• LogD (pH = 7.4): 1.6939889
• Log P: 1.6939889
• Molar Refractivity: 47.0195 cm^3
• Polarizability: 18.039818 Å^3
• Polar Surface Area: 35.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%