7-methoxynaphthalene-1-carbaldehyde

• ChemBase ID: 173973
• Molecular Formular: C12H10O2
• Molecular Mass: 186.2066
• Monoisotopic Mass: 186.06807956
• SMILES: c1ccc2c(c1C=O)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)c(C=O)ccc2
• InChI: InChI=1S/C12H10O2/c1-14-11-6-5-9-3-2-4-10(8-13)12(9)7-11/h2-8H,1H3
• InChIKey: WYDUFXRPFJPXGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxynaphthalene-1-carbaldehyde
• IUPAC Traditional name: 7-methoxynaphthalene-1-carbaldehyde
• Synonyms: 7-Methoxy-1-naphthalenecarboxaldehyde; MONAL 71; 7-Methoxy-1-naphthaldehyde

Database IDs

• CAS Number: 158365-55-0
• PubChem SID: 164229883
• PubChem CID: 15788279

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5175536
• LogD (pH = 7.4): 2.5175536
• Log P: 2.5175536
• Molar Refractivity: 55.5554 cm^3
• Polarizability: 22.28876 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M321070

One of the two highly fluorogenic aldehydes, 7-Methoxy-1-naphthaldehyde (MONAL-71) and 6-Methoxy-2-naphthaldehyde (MONAL-62), as indicators of the aldehyde dehydrogenase (ALDH) activity in human tissue homogenates and accessible body fluids.

REFERENCES

• Wierzchowski, J., et al.: Anal. Biochem., 245, 69 (1997)