5-(4-ethoxyphenoxymethyl)furan-2-carbaldehyde

• ChemBase ID: 283459
• Molecular Formular: C14H14O4
• Molecular Mass: 246.25856
• Monoisotopic Mass: 246.08920893
• SMILES: o1c(ccc1COc1ccc(cc1)OCC)C=O
• Canonical SMILES: CCOc1ccc(cc1)OCc1ccc(o1)C=O
• InChI: InChI=1S/C14H14O4/c1-2-16-11-3-5-12(6-4-11)17-10-14-8-7-13(9-15)18-14/h3-9H,2,10H2,1H3
• InChIKey: SPRPGVQMLSAAEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-ethoxyphenoxymethyl)furan-2-carbaldehyde
• IUPAC Traditional name: 5-(4-ethoxyphenoxymethyl)furan-2-carbaldehyde
• Synonyms: 5-(4-ethoxyphenoxymethyl)furan-2-carbaldehyde

Database IDs

• MDL Number: MFCD03074522
• PubChem SID: 180668990
• PubChem CID: 842789

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4319344
• LogD (pH = 7.4): 2.4319344
• Log P: 2.4319344
• Molar Refractivity: 67.198 cm^3
• Polarizability: 25.573202 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.976

Product Information

• Purity: 95%