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

Inquiry

Molecular Formula:

C18H14O4

Molecular Weight:

294.3

CAS Number:

5085-95-0

Catalog Number:

5085-95-0

Product Information

Molecular Formula:

C18H14O4

Molecular Weight:

294.3

Description

1,4-bis-(3-Hydroxyphenoxy)benzene is a pharmaceutical intermediate used predominantly in bio-medical research. It plays a crucial role in the synthesis of drugs designed to treat hormonal disorders, primarily due to its estrogenic properties.

Synonyms

Hydroquinone Bis(3-hydroxyphenyl) Ether

IUPAC Name

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

Canonical SMILES

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

InChI

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

InChI Key

CHBWEVDVYGBMEJ-UHFFFAOYSA-N

Melting Point

126 ℃

Purity

>96.0%(GC)

Appearance

Light yellow to Brown 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

295

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)

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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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Volume _(start)

Concentration _(final)

Volume _(final)

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

Product Information

Computed Properties

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