1-(benzyloxy)-2-(2H5)ethoxybenzene

• ChemBase ID: 161718
• Molecular Formular: C15H16O2
• Molecular Mass: 228.28634
• Monoisotopic Mass: 228.11502975
• SMILES: c1(ccccc1OCc1ccccc1)OCC
• Canonical SMILES: CCOc1ccccc1OCc1ccccc1
• InChI: InChI=1S/C15H16O2/c1-2-16-14-10-6-7-11-15(14)17-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
• InChIKey: UODPBTDHZVQWMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzyloxy)-2-(^2H₅)ethoxybenzene
• IUPAC Traditional name: 1-(benzyloxy)-2-(^2H₅)ethoxybenzene
• Synonyms: 1-Ethoxy-2-(phenylmethoxy)benzene-d5; 1-(Benzyloxy)-2-ethoxy-benzene-d5; 2-Benzyloxy-1-ethoxy-d5-pyrocatechol

Database IDs

• CAS Number: 117320-29-3
• PubChem SID: 162255853
• PubChem CID: 14112947

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7391844
• LogD (pH = 7.4): 3.7391844
• Log P: 3.7391844
• Molar Refractivity: 68.3456 cm^3
• Polarizability: 26.81971 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

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