Methyl 3,5-Dibenzyloxybenzoate
Product Information
Molecular Formula
C22H20O4
Molecular Weight
362.42
Description
Methyl 3,5-Dibenzyloxybenzoate is a prominent pharmaceutical compound. With its peculiar chemical structure, this compound exhibits extraordinary antibacterial abilities and is therefore used in the development of pharmaceutical preparations for infectious diseases caused by microorganisms.
Synonyms
3,5-bis-(Benzyloxy)benzoic acid methyl ester; Methyl 3,5-dibenzyloxybenzoate
IUPAC Name
methyl 3,5-bis(phenylmethoxy)benzoate
SMILES
COC(=O)C1=CC(=CC(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C22H20O4/c1-24-22(23)19-12-20(25-15-17-8-4-2-5-9-17)14-21(13-19)26-16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3
InChI Key
GBQCMRLPXFXVIN-UHFFFAOYSA-N
Boiling Point
442.76°C (rough estimate)
Melting Point
67 °C
Purity
>98.0%(GC)
Density
1.1447 (rough estimate)
Appearance
White to Orange to Green powder to crystal
Refractive Index
1.6000 (estimate)
Computed Properties
XLogP3
4.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
8
Exact Mass
348.13615911 g/mol
Monoisotopic Mass
348.13615911 g/mol
Topological Polar Surface Area
44.8Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
382
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
