2-(benzyloxy)-4-methoxybenzaldehyde

• ChemBase ID: 45155
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: c1c(cc(c(c1)C=O)OCc1ccccc1)OC
• Canonical SMILES: COc1ccc(c(c1)OCc1ccccc1)C=O
• InChI: InChI=1S/C15H14O3/c1-17-14-8-7-13(10-16)15(9-14)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
• InChIKey: NQOXTICIDSITGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-4-methoxybenzaldehyde
• IUPAC Traditional name: 2-(benzyloxy)-4-methoxybenzaldehyde
• Synonyms: 2-(Benzyloxy)-4-methoxybenzenecarbaldehyde

Database IDs

• CAS Number: 32884-23-4
• MDL Number: MFCD02113682
• PubChem SID: 162049918
• PubChem CID: 820527

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: 26.847635 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68 - 70 °C; 69-71°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%