ethyl 2-(4-hydroxyphenoxy)acetate

• ChemBase ID: 283151
• Molecular Formular: C10H12O4
• Molecular Mass: 196.19988
• Monoisotopic Mass: 196.07355886
• SMILES: C(=O)(COc1ccc(cc1)O)OCC
• Canonical SMILES: CCOC(=O)COc1ccc(cc1)O
• InChI: InChI=1S/C10H12O4/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6,11H,2,7H2,1H3
• InChIKey: PBQNKBWWOXOAOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12025129
• PubChem SID: 180668682
• PubChem CID: 13187337

CALCULATED PROPERTIES

• Acid pKa: 9.895635
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4926772
• LogD (pH = 7.4): 1.491317
• Log P: 1.4926945
• Molar Refractivity: 50.1044 cm^3
• Polarizability: 19.771875 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C
• Hydrophobicity(logP): 1.721

Product Information

• Purity: 95%