ethyl 2-(2-hydroxyphenoxy)acetate

• ChemBase ID: 236648
• Molecular Formular: C10H12O4
• Molecular Mass: 196.19988
• Monoisotopic Mass: 196.07355886
• SMILES: C(=O)(COc1c(O)cccc1)OCC
• Canonical SMILES: CCOC(=O)COc1ccccc1O
• InChI: InChI=1S/C10H12O4/c1-2-13-10(12)7-14-9-6-4-3-5-8(9)11/h3-6,11H,2,7H2,1H3
• InChIKey: YFXKUZRPWHNNES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 99186-63-7
• MDL Number: MFCD00547114
• PubChem SID: 164292558
• PubChem CID: 786427

CALCULATED PROPERTIES

• Acid pKa: 9.921217
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4926782
• LogD (pH = 7.4): 1.4913973
• Log P: 1.4926945
• Molar Refractivity: 50.1044 cm^3
• Polarizability: 19.774208 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51 - 53°C
• Hydrophobicity(logP): 1.471

Product Information

• Purity: 95%