ethyl 2-(4-formylphenoxy)acetate

• ChemBase ID: 235171
• Molecular Formular: C11H12O4
• Molecular Mass: 208.21058
• Monoisotopic Mass: 208.07355886
• SMILES: C(=O)(COc1ccc(C=O)cc1)OCC
• Canonical SMILES: CCOC(=O)COc1ccc(cc1)C=O
• InChI: InChI=1S/C11H12O4/c1-2-14-11(13)8-15-10-5-3-9(7-12)4-6-10/h3-7H,2,8H2,1H3
• InChIKey: CGEOWJVEIAILOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-formylphenoxy)acetate
• IUPAC Traditional name: ethyl 2-(4-formylphenoxy)acetate
• Synonyms: ethyl 2-(4-formylphenoxy)acetate; ethyl (4-formylphenoxy)acetate

Database IDs

• CAS Number: 51264-69-8
• MDL Number: MFCD02629387
• PubChem SID: 164291081
• PubChem CID: 291358

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5087622
• LogD (pH = 7.4): 1.5087622
• Log P: 1.5087622
• Molar Refractivity: 54.7075 cm^3
• Polarizability: 21.057743 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.926

Product Information

• Purity: 95%