1,3-bis-(4-Hydroxyphenoxy)benzene

Inquiry

Molecular Formula:

C18H14O4

Molecular Weight:

294.3

CAS Number:

126716-90-3

Catalog Number:

126716-90-3

Product Information

Molecular Formula:

C18H14O4

Molecular Weight:

294.3

Description

1,3-bis-(4-Hydroxyphenoxy)benzene is a pharmaceutical intermediate commonly employed in the synthesis of various therapeutic drugs. Specifically, it's a key component in creating antitumor, antifungal, and insecticidal agents.

Synonyms

Resorcinol Bis(4-hydroxyphenyl) Ether

IUPAC Name

4-[3-(4-hydroxyphenoxy)phenoxy]phenol

Canonical SMILES

C1=CC(=CC(=C1)OC2=CC=C(C=C2)O)OC3=CC=C(C=C3)O

InChI

InChI=1S/C18H14O4/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16/h1-12,19-20H

InChI Key

CJLPIPXJJJUBIV-UHFFFAOYSA-N

Boiling Point

478.2ºC at 760 mmHg

Melting Point

130ºC

Purity

>97.0%(GC)

Density

1.293g/cm3

Appearance

White to Almost white powder to crystal

Computed Properties

XLogP3

4.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

294.08920892 g/mol

Monoisotopic Mass

294.08920892 g/mol

Topological Polar Surface Area

58.9Å²

Heavy Atom Count

Formal Charge

Complexity

289

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

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

Mass

Concentration

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Molecular Weight *

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

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1,3-bis-(4-Hydroxyphenoxy)benzene

Product Information

Computed Properties

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