2-(ethoxymethyl)furan

• ChemBase ID: 293114
• Molecular Formular: C7H10O2
• Molecular Mass: 126.1531
• Monoisotopic Mass: 126.06807956
• SMILES: CCOCc1ccco1
• Canonical SMILES: CCOCc1ccco1
• InChI: InChI=1S/C7H10O2/c1-2-8-6-7-4-3-5-9-7/h3-5H,2,6H2,1H3
• InChIKey: BHGBNDNKYPEAAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethoxymethyl)furan
• IUPAC Traditional name: 2-ethoxymethyl-furan
• Synonyms: 2-(Ethoxymethyl)furan

Database IDs

• CAS Number: 6270-56-0
• MDL Number: MFCD02258625
• PubChem SID: 180678645
• PubChem CID: 80455

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2660772
• LogD (pH = 7.4): 1.2660772
• Log P: 1.2660772
• Molar Refractivity: 34.7646 cm^3
• Polarizability: 13.408535 Å^3
• Polar Surface Area: 22.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%