5-(2-methoxyphenoxymethyl)furan-2-carbaldehyde

• ChemBase ID: 283452
• Molecular Formular: C13H12O4
• Molecular Mass: 232.23198
• Monoisotopic Mass: 232.07355886
• SMILES: o1c(ccc1COc1c(OC)cccc1)C=O
• Canonical SMILES: COc1ccccc1OCc1ccc(o1)C=O
• InChI: InChI=1S/C13H12O4/c1-15-12-4-2-3-5-13(12)16-9-11-7-6-10(8-14)17-11/h2-8H,9H2,1H3
• InChIKey: QUDMVQWVEBNXFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02253764
• PubChem SID: 180668983
• PubChem CID: 842760

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0751264
• LogD (pH = 7.4): 2.0751264
• Log P: 2.0751264
• Molar Refractivity: 62.4494 cm^3
• Polarizability: 23.740347 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.097

Product Information

• Purity: 95%