2-[(4-methoxyphenyl)methoxy]acetaldehyde

• ChemBase ID: 238199
• Molecular Formular: C10H12O3
• Molecular Mass: 180.20048
• Monoisotopic Mass: 180.07864424
• SMILES: O=CCOCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)COCC=O
• InChI: InChI=1S/C10H12O3/c1-12-10-4-2-9(3-5-10)8-13-7-6-11/h2-6H,7-8H2,1H3
• InChIKey: RXPADMCZLGKHAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methoxyphenyl)methoxy]acetaldehyde
• IUPAC Traditional name: 2-[(4-methoxyphenyl)methoxy]acetaldehyde
• Synonyms: 2-[(4-methoxyphenyl)methoxy]acetaldehyde

Database IDs

• MDL Number: MFCD16165791
• PubChem SID: 164294109
• PubChem CID: 10219677

CALCULATED PROPERTIES

• Acid pKa: 15.7079315
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0107183
• LogD (pH = 7.4): 1.0107183
• Log P: 1.0107183
• Molar Refractivity: 49.2475 cm^3
• Polarizability: 19.13332 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.072

Product Information

• Purity: 95%