bis(benzyloxy)(2H5)propan-2-ol

• ChemBase ID: 166921
• Molecular Formular: C17H20O3
• Molecular Mass: 272.3389
• Monoisotopic Mass: 272.1412445
• SMILES: C(C(COCc1ccccc1)O)OCc1ccccc1
• Canonical SMILES: OC(COCc1ccccc1)COCc1ccccc1
• InChI: InChI=1S/C17H20O3/c18-17(13-19-11-15-7-3-1-4-8-15)14-20-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
• InChIKey: ARLSYSVVBAMYKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(benzyloxy)(^2H₅)propan-2-ol
• IUPAC Traditional name: bis(benzyloxy)(^2H₅)propan-2-ol
• Synonyms: 1,3-Bis(phenylmethoxy)-2-propanol-d5; 1,3-Bis(benzyloxy)-2-propanol-d5; 1,3-Benzyloxy-2-propanol-d5; 1,3-Di-O-benzylglycerol-d5; 1,3-Dibenzyl Glycerol-d5; 1,3-Dibenzylglycerin-d5; 1,3-Dibenzyloxy-2-hydroxypropane-d5; 1,3-Dibenzyloxy-2-propanol-d5

Database IDs

• PubChem SID: 162261054
• PubChem CID: 46781238

CALCULATED PROPERTIES

• Acid pKa: 13.679031
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8961852
• LogD (pH = 7.4): 2.896185
• Log P: 2.8961852
• Molar Refractivity: 79.2437 cm^3
• Polarizability: 31.130749 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Pale-Yellow Oil

DETAILS

Toronto Research Chemicals - D418082

Having spasmolytic and cholinolytic activity.