2-[(3-methoxyphenyl)methoxy]benzaldehyde

• ChemBase ID: 25953
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: c1(c(OCc2cc(OC)ccc2)cccc1)C=O
• Canonical SMILES: COc1cccc(c1)COc1ccccc1C=O
• InChI: InChI=1S/C15H14O3/c1-17-14-7-4-5-12(9-14)11-18-15-8-3-2-6-13(15)10-16/h2-10H,11H2,1H3
• InChIKey: WPCZKSLEFCXSBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-methoxyphenyl)methoxy]benzaldehyde
• IUPAC Traditional name: 2-[(3-methoxyphenyl)methoxy]benzaldehyde
• Synonyms: 2-[(3-Methoxybenzyl)oxy]benzaldehyde

Database IDs

• CAS Number: 350693-45-7
• MDL Number: MFCD00553744
• PubChem SID: 160989260
• PubChem CID: 3851895

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0948787
• LogD (pH = 7.4): 3.0948787
• Log P: 3.0948787
• Molar Refractivity: 70.181 cm^3
• Polarizability: 26.847425 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false