2-(6-methoxynaphthalen-2-yl)acetaldehyde

• ChemBase ID: 803319
• Molecular Formular: C13H12O2
• Molecular Mass: 200.23318
• Monoisotopic Mass: 200.08372962
• SMILES: C(C=O)c1ccc2c(ccc(c2)OC)c1
• Canonical SMILES: O=CCc1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C13H12O2/c1-15-13-5-4-11-8-10(6-7-14)2-3-12(11)9-13/h2-5,7-9H,6H2,1H3
• InChIKey: DOUAJKGKXXNGOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxynaphthalen-2-yl)acetaldehyde
• IUPAC Traditional name: 2-(6-methoxynaphthalen-2-yl)acetaldehyde
• Synonyms: (6-METHOXY-2-NAPHTHYL)ACETALDEHYDE

CALCULATED PROPERTIES

• Acid pKa: 14.706291
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2841833
• LogD (pH = 7.4): 2.2841833
• Log P: 2.2841833
• Molar Refractivity: 59.3536 cm^3
• Polarizability: 24.148619 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%