5-(phenoxymethyl)furan-2-carbaldehyde

• ChemBase ID: 283466
• Molecular Formular: C12H10O3
• Molecular Mass: 202.206
• Monoisotopic Mass: 202.06299418
• SMILES: o1c(ccc1COc1ccccc1)C=O
• Canonical SMILES: O=Cc1ccc(o1)COc1ccccc1
• InChI: InChI=1S/C12H10O3/c13-8-11-6-7-12(15-11)9-14-10-4-2-1-3-5-10/h1-8H,9H2
• InChIKey: UEFQGYJMYZTWIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02253952
• PubChem SID: 180668997
• PubChem CID: 7022245

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2327979
• LogD (pH = 7.4): 2.2327979
• Log P: 2.2327979
• Molar Refractivity: 55.9862 cm^3
• Polarizability: 21.204878 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.358

Product Information

• Purity: 95%