2-(2H5)ethoxyphenol

• ChemBase ID: 168354
• Molecular Formular: C8H10O2
• Molecular Mass: 138.1638
• Monoisotopic Mass: 138.06807956
• SMILES: c1(ccccc1O)OCC
• Canonical SMILES: CCOc1ccccc1O
• InChI: InChI=1S/C8H10O2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3
• InChIKey: MOEFFSWKSMRFRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(^2H₅)ethoxyphenol
• IUPAC Traditional name: 2-(^2H₅)ethoxyphenol
• Synonyms: 2-(Ethoxy-d5)phenol; 2-(Ethoxy-1,1,2,2,2-d5)phenol; 1-Hydroxy-2-ethoxybenzene-d5; Catechol Monoethyl Ether-d5; Guaethol-d5; Guethol-d5; NSC 1809-d5; Pyrocatechol Monoethyl Ether-d5; o-Ethoxyphenol-d5; 2-Ethoxy-d5-phenol

Database IDs

• CAS Number: 117320-30-6
• PubChem SID: 162262486
• PubChem CID: 12257121

CALCULATED PROPERTIES

• Acid pKa: 9.964423
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8688024
• LogD (pH = 7.4): 1.8676425
• Log P: 1.8688172
• Molar Refractivity: 39.2507 cm^3
• Polarizability: 15.290979 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Colourless Liquid