ethyl 2-(4-hydroxy-3-methylphenyl)acetate

• ChemBase ID: 796245
• Molecular Formular: C11H14O3
• Molecular Mass: 194.22706
• Monoisotopic Mass: 194.09429431
• SMILES: O(C(=O)Cc1cc(c(cc1)O)C)CC
• Canonical SMILES: CCOC(=O)Cc1ccc(c(c1)C)O
• InChI: InChI=1S/C11H14O3/c1-3-14-11(13)7-9-4-5-10(12)8(2)6-9/h4-6,12H,3,7H2,1-2H3
• InChIKey: SFSINBRPRMNWIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-hydroxy-3-methylphenyl)acetate
• IUPAC Traditional name: ethyl 2-(4-hydroxy-3-methylphenyl)acetate
• Synonyms: ethyl 2-(4-hydroxy-3-methylphenyl)acetate

Database IDs

• CAS Number: 607707-64-2

CALCULATED PROPERTIES

• Acid pKa: 9.856504
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3235333
• LogD (pH = 7.4): 2.322045
• Log P: 2.3235521
• Molar Refractivity: 53.9054 cm^3
• Polarizability: 20.828115 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%