5-(naphthalen-1-yl)furan-2-carbaldehyde

• ChemBase ID: 310710
• Molecular Formular: C15H10O2
• Molecular Mass: 222.2387
• Monoisotopic Mass: 222.06807956
• SMILES: c1(oc(cc1)C=O)c1c2c(ccc1)cccc2
• Canonical SMILES: O=Cc1ccc(o1)c1cccc2c1cccc2
• InChI: InChI=1S/C15H10O2/c16-10-12-8-9-15(17-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H
• InChIKey: CTSWIPKWDHCZMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(naphthalen-1-yl)furan-2-carbaldehyde
• IUPAC Traditional name: 5-(naphthalen-1-yl)furan-2-carbaldehyde
• Synonyms: 5-(1-naphthyl)-2-furaldehyde

Database IDs

• CAS Number: 51792-36-0
• MDL Number: MFCD00582072

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3026981
• LogD (pH = 7.4): 3.3026981
• Log P: 3.3026981
• Molar Refractivity: 66.4968 cm^3
• Polarizability: 27.680271 Å^3
• Polar Surface Area: 30.21 Å^2