4-methoxy-3-(2-methoxyethoxy)benzaldehyde

• ChemBase ID: 31840
• Molecular Formular: C11H14O4
• Molecular Mass: 210.22646
• Monoisotopic Mass: 210.08920893
• SMILES: c1(c(ccc(c1)C=O)OC)OCCOC
• Canonical SMILES: COc1ccc(cc1OCCOC)C=O
• InChI: InChI=1S/C11H14O4/c1-13-5-6-15-11-7-9(8-12)3-4-10(11)14-2/h3-4,7-8H,5-6H2,1-2H3
• InChIKey: ZMRITOOPJGZGIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-3-(2-methoxyethoxy)benzaldehyde
• IUPAC Traditional name: 4-methoxy-3-(2-methoxyethoxy)benzaldehyde
• Synonyms: 4-Methoxy-3-(2-methoxy-ethoxy)-benzaldehyde

Database IDs

• MDL Number: MFCD07801178
• PubChem SID: 160995147
• PubChem CID: 6484657

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3234301
• LogD (pH = 7.4): 1.3234302
• Log P: 1.3234302
• Molar Refractivity: 56.6119 cm^3
• Polarizability: 21.655754 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false