3,5-Dibenzyloxyacetophenone
Product Information
Molecular Formula
C22H20O3
Molecular Weight
332.39
Description
3,5-Dibenzyloxyacetophenone (CAS# 28924-21-2) is a compound useful in organic synthesis.
Synonyms
1-[3,5-bis(phenylmethoxy)phenyl]ethanone
IUPAC Name
1-[3,5-bis(phenylmethoxy)phenyl]ethanone
SMILES
CC(=O)C1=CC(=CC(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C22H20O3/c1-17(23)20-12-21(24-15-18-8-4-2-5-9-18)14-22(13-20)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3
InChI Key
KOJXGMJOTRYLBD-UHFFFAOYSA-N
Boiling Point
489.5 °C at 760 mmHg
Melting Point
60-64 °C
Purity
98 %
Density
1.144 g/cm3
Appearance
Beige crystalline powde
Storage
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Refractive Index
1.6000 (estimate)
LogP
5.04720
Safety Information
Precautionary Statement
P262
Computed Properties
XLogP3
4.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
7
Exact Mass
332.14124450 g/mol
Monoisotopic Mass
332.14124450 g/mol
Topological Polar Surface Area
35.5Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
366
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
