2-(2-phenoxyethoxy)ethan-1-ol

• ChemBase ID: 275371
• Molecular Formular: C10H14O3
• Molecular Mass: 182.21636
• Monoisotopic Mass: 182.09429431
• SMILES: c1(OCCOCCO)ccccc1
• Canonical SMILES: OCCOCCOc1ccccc1
• InChI: InChI=1S/C10H14O3/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5,11H,6-9H2
• InChIKey: ZUAURMBNZUCEAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenoxyethoxy)ethan-1-ol
• IUPAC Traditional name: ethanol, 2-(2-phenoxyethoxy)-
• Synonyms: 2-(2-phenoxyethoxy)ethan-1-ol

Database IDs

• MDL Number: MFCD00045989
• PubChem SID: 164331281
• PubChem CID: 7715

CALCULATED PROPERTIES

• Acid pKa: 15.121155
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.078497
• LogD (pH = 7.4): 1.078497
• Log P: 1.078497
• Molar Refractivity: 49.857 cm^3
• Polarizability: 19.684183 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.252

Product Information

• Purity: 95%