5-phenoxyfuran-2-carbaldehyde

• ChemBase ID: 248888
• Molecular Formular: C11H8O3
• Molecular Mass: 188.17942
• Monoisotopic Mass: 188.04734412
• SMILES: c1(oc(cc1)C=O)Oc1ccccc1
• Canonical SMILES: O=Cc1ccc(o1)Oc1ccccc1
• InChI: InChI=1S/C11H8O3/c12-8-10-6-7-11(14-10)13-9-4-2-1-3-5-9/h1-8H
• InChIKey: UKZZWIDZLLWLIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenoxyfuran-2-carbaldehyde
• IUPAC Traditional name: 5-phenoxyfuran-2-carbaldehyde
• Synonyms: 5-phenoxyfuran-2-carbaldehyde

Database IDs

• MDL Number: MFCD03844443
• PubChem SID: 164304798
• PubChem CID: 13010663

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.335573
• LogD (pH = 7.4): 2.335573
• Log P: 2.335573
• Molar Refractivity: 50.527 cm^3
• Polarizability: 19.429829 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.769

Product Information

• Purity: 95%