4-(ethoxymethoxy)benzaldehyde

• ChemBase ID: 246506
• Molecular Formular: C10H12O3
• Molecular Mass: 180.20048
• Monoisotopic Mass: 180.07864424
• SMILES: O=Cc1ccc(OCOCC)cc1
• Canonical SMILES: CCOCOc1ccc(cc1)C=O
• InChI: InChI=1S/C10H12O3/c1-2-12-8-13-10-5-3-9(7-11)4-6-10/h3-7H,2,8H2,1H3
• InChIKey: WKEOCOHKXRVQEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(ethoxymethoxy)benzaldehyde
• IUPAC Traditional name: 4-(ethoxymethoxy)benzaldehyde
• Synonyms: 4-(ethoxymethoxy)benzaldehyde

Database IDs

• MDL Number: MFCD21195795
• PubChem SID: 164302416
• PubChem CID: 11095216

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9480103
• LogD (pH = 7.4): 1.9480103
• Log P: 1.9480103
• Molar Refractivity: 49.7068 cm^3
• Polarizability: 19.11689 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.674

Product Information

• Purity: 95%