2-(2-methoxyethoxy)benzaldehyde

• ChemBase ID: 236015
• Molecular Formular: C10H12O3
• Molecular Mass: 180.20048
• Monoisotopic Mass: 180.07864424
• SMILES: c1(c(OCCOC)cccc1)C=O
• Canonical SMILES: COCCOc1ccccc1C=O
• InChI: InChI=1S/C10H12O3/c1-12-6-7-13-10-5-3-2-4-9(10)8-11/h2-5,8H,6-7H2,1H3
• InChIKey: VJJJRAXOBGTWAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethoxy)benzaldehyde
• IUPAC Traditional name: 2-(2-methoxyethoxy)benzaldehyde
• Synonyms: 2-(2-methoxyethoxy)benzaldehyde

Database IDs

• MDL Number: MFCD09036531
• PubChem SID: 164291925
• PubChem CID: 11263850

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4811014
• LogD (pH = 7.4): 1.4811014
• Log P: 1.4811014
• Molar Refractivity: 50.1487 cm^3
• Polarizability: 19.120651 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.669

Product Information

• Purity: 95%