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4,4'-(1,3,3-Trimethyl-1-propene-1,3-diyl)bisphenol

4,4'-(1,3,3-Trimethyl-1-propene-1,3-diyl)bisphenol

Inquiry

Molecular Formula:

C18H20O2

Molecular Weight:

268.35

CAS Number:

57244-54-9

Catalog Number:

57244-54-9

Product Information

Molecular Formula:

C18H20O2

Molecular Weight:

268.35

Description

4,4'-(1,3,3-Trimethyl-1-propene-1,3-diyl)bisphenol, an essential compound within the biomedicine industry, assumes a critical function in the synthesis of medications aimed at distinct maladies such as cancer, diabetes, and neurodegenerative disorders.

Synonyms

Phenol, 4,4'-(1,1,3-trimethyl-1,3-propanediyl)bis-, didehydro deriv.; 4-[4-(4-HYDROXYPHENYL)-4-METHYLPENT-2-EN-2-YL]PHENOL; 4-[4-(4-hydroxyphenyl)-2-methylpent-3-en-2-yl]phenol

IUPAC Name

4-[4-(4-hydroxyphenyl)-4-methylpent-2-en-2-yl]phenol

Canonical SMILES

CC(=CC(C)(C)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

InChI

InChI=1S/C18H20O2/c1-13(14-4-8-16(19)9-5-14)12-18(2,3)15-6-10-17(20)11-7-15/h4-12,19-20H,1-3H3

InChI Key

GGWYYLOIWHKAJM-UHFFFAOYSA-N

Boiling Point

423.5±14.0 °C(Predicted)

Density

1?+-.0.06 g/cm3(Predicted)

Appearance

White Solid

Storage

Amber Vial, -20°C Freezer, Under inert atmosphere

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.

Precautionary Statement

P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P305:
IF IN EYES:
P338:
Remove contact lenses if present and easy to do. Continue rinsing.
P351:
Rinse cautiously with water for several minutes.

Computed Properties

XLogP3

5.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

268.146329876 g/mol

Monoisotopic Mass

268.146329876 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

329

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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4,4'-(1,3,3-Trimethyl-1-propene-1,3-diyl)bisphenol

Product Information

Safety Information

Computed Properties

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