3-(2-methoxyethoxy)benzaldehyde

• ChemBase ID: 18565
• Molecular Formular: C10H12O3
• Molecular Mass: 180.20048
• Monoisotopic Mass: 180.07864424
• SMILES: O=Cc1cc(OCCOC)ccc1
• Canonical SMILES: COCCOc1cccc(c1)C=O
• InChI: InChI=1S/C10H12O3/c1-12-5-6-13-10-4-2-3-9(7-10)8-11/h2-4,7-8H,5-6H2,1H3
• InChIKey: RCERKBSPVRUVQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08144122
• PubChem SID: 160981872
• PubChem CID: 6485561

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: 19.118763 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.529

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%