3,5-BIS[3,5-BIS(METHOXYCARBONYL)PHENOXYMETHYL]PHENOL

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Product Information

Molecular Formula:
C28H26O11
Molecular Weight:
538.49944
Description
3,5-Bis[3,5-bis(3,5-dimethoxybenzyloxy)benzyloxy]benzyl Bromide is widely used in drug discovery for a variety of diseases, including cancer, cardiovascular abnormalities, and autoimmune diseases.
Synonyms
3,5-BIS[3,5-BIS(METHOXYCARBONYL)PHENOXYMETHYL]PHENOL
IUPAC Name
dimethyl 5-[[3-[[3,5-bis(methoxycarbonyl)phenoxy]methyl]-5-hydroxyphenyl]methoxy]benzene-1,3-dicarboxylate
Canonical SMILES
COC(=O)C1=CC(=CC(=C1)OCC2=CC(=CC(=C2)O)COC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C(=O)OC
InChI
InChI=1S/C28H26O11/c1-34-25(30)18-8-19(26(31)35-2)11-23(10-18)38-14-16-5-17(7-22(29)6-16)15-39-24-12-20(27(32)36-3)9-21(13-24)28(33)37-4/h5-13,29H,14-15H2,1-4H3
InChI Key
USUINPRIDFWVMZ-UHFFFAOYSA-N
Melting Point
163 °C
Purity
>98.0%(LC)
Appearance
White to Almost white powder to crystal

Computed Properties

XLogP3
3.9
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
11
Rotatable Bond Count
14
Exact Mass
538.14751164 g/mol
Monoisotopic Mass
538.14751164 g/mol
Topological Polar Surface Area
144Ų
Heavy Atom Count
39
Formal Charge
0
Complexity
731
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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