4-phenylfuran-2-carbaldehyde

• ChemBase ID: 261784
• Molecular Formular: C11H8O2
• Molecular Mass: 172.18002
• Monoisotopic Mass: 172.0524295
• SMILES: c1(cc(oc1)C=O)c1ccccc1
• Canonical SMILES: O=Cc1occ(c1)c1ccccc1
• InChI: InChI=1S/C11H8O2/c12-7-11-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H
• InChIKey: VSADUYUTKZHMIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylfuran-2-carbaldehyde
• IUPAC Traditional name: 4-phenylfuran-2-carbaldehyde
• Synonyms: 4-phenylfuran-2-carbaldehyde

Database IDs

• MDL Number: MFCD14705571
• PubChem SID: 164317694
• PubChem CID: 13541689

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3932202
• LogD (pH = 7.4): 2.3932202
• Log P: 2.3932202
• Molar Refractivity: 50.1691 cm^3
• Polarizability: 20.066826 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.559

Product Information

• Purity: 95%