2-[4-(2-methoxyethyl)phenoxy]acetic acid

• ChemBase ID: 279558
• Molecular Formular: C11H14O4
• Molecular Mass: 210.22646
• Monoisotopic Mass: 210.08920893
• SMILES: C(=O)(COc1ccc(cc1)CCOC)O
• Canonical SMILES: COCCc1ccc(cc1)OCC(=O)O
• InChI: InChI=1S/C11H14O4/c1-14-7-6-9-2-4-10(5-3-9)15-8-11(12)13/h2-5H,6-8H2,1H3,(H,12,13)
• InChIKey: JDRZORLFZNKEIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-methoxyethyl)phenoxy]acetic acid
• IUPAC Traditional name: 4-(2-methoxyethyl)phenoxyacetic acid
• Synonyms: [4-(2-methoxyethyl)phenoxy]acetic acid

Database IDs

• MDL Number: MFCD08444521
• PubChem SID: 164335468
• PubChem CID: 16228007

CALCULATED PROPERTIES

• Acid pKa: 3.6726072
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.3672723
• LogD (pH = 7.4): -1.8583068
• Log P: 1.4579958
• Molar Refractivity: 54.9279 cm^3
• Polarizability: 21.367687 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.257

Product Information

• Purity: 95%