2-(1-ethoxyethoxy)phenol

• ChemBase ID: 83418
• Molecular Formular: C10H14O3
• Molecular Mass: 182.21636
• Monoisotopic Mass: 182.09429431
• SMILES: O(c1ccccc1O)C(OCC)C
• Canonical SMILES: CCOC(Oc1ccccc1O)C
• InChI: InChI=1S/C10H14O3/c1-3-12-8(2)13-10-7-5-4-6-9(10)11/h4-8,11H,3H2,1-2H3
• InChIKey: RJXXCLQZUVADGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-ethoxyethoxy)phenol
• IUPAC Traditional name: 2-(1-ethoxyethoxy)phenol
• Synonyms: 2-(1-Ethoxyethoxy)phenol

Database IDs

• MDL Number: MFCD00101502
• PubChem SID: 162070536
• PubChem CID: 2780263

CALCULATED PROPERTIES

• Acid pKa: 9.8338785
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1614554
• LogD (pH = 7.4): 2.15989
• Log P: 2.1614754
• Molar Refractivity: 49.946 cm^3
• Polarizability: 19.668718 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant