3-methoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde

• ChemBase ID: 121520
• Molecular Formular: C19H16O3
• Molecular Mass: 292.32854
• Monoisotopic Mass: 292.10994437
• SMILES: c1(c(OCc2c3c(ccc2)cccc3)ccc(c1)C=O)OC
• Canonical SMILES: COc1cc(C=O)ccc1OCc1cccc2c1cccc2
• InChI: InChI=1S/C19H16O3/c1-21-19-11-14(12-20)9-10-18(19)22-13-16-7-4-6-15-5-2-3-8-17(15)16/h2-12H,13H2,1H3
• InChIKey: LGEUVGFZNAWGCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde
• IUPAC Traditional name: 3-methoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde
• Synonyms: 3-methoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde

Database IDs

• PubChem SID: 162215873
• PubChem CID: 2716614

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.0843554
• LogD (pH = 7.4): 4.0843554
• Log P: 4.0843554
• Molar Refractivity: 86.6312 cm^3
• Polarizability: 34.395332 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true