4,4-(1-Phenylethylidene)bisphenol

Inquiry

Molecular Formula:

C20H18O2

Molecular Weight:

290.36

CAS Number:

1571-75-1

Catalog Number:

1571-75-1

Product Information

Molecular Formula:

C20H18O2

Molecular Weight:

290.36

Description

Applications: Bisphenol AP-d5 is the isotope labelled analog of Bisphenol AP. Bisphenol AP is used to prepare triphenylmethane derivatives as inhibitors of hepatitis C virus helicase. It is a derivative of Bisphenol A which is a monomer used for policarbonate and epoxy resins.

Synonyms

Bisphenol AP

IUPAC Name

4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol

Canonical SMILES

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

InChI

InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3

InChI Key

VOWWYDCFAISREI-UHFFFAOYSA-N

Boiling Point

473.8±35.0 °C(Predicted)

Melting Point

188-191 °C(lit.)

Purity

>98.0%(GC)

Density

1.179±0.06 g/cm3(Predicted)

Appearance

White to Almost white powder to crystal

Storage

Refrigerator

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H410:
Very toxic to aquatic life with long-lasting effects.

Precautionary Statement

P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

4.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

290.130679813 g/mol

Monoisotopic Mass

290.130679813 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

310

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

Patents

Publication Number	Title	Priority Date
CN-113999382-A	Preparation method of polycarbonate	2021-12-10
CN-114010176-A	Optical fiber device and method for detecting and analyzing heart rate of zebra fish in real time	2021-12-01
CN-114057992-A	Resin composition for carbon fiber molding	2021-11-02
CN-113817169-A	High-temperature-resistant block polysulfate and preparation method thereof	2021-11-01
CN-113956441-A	Die pressing free radical modified epoxy resin composition	2021-10-29
CN-113637153-A	Multi-block polyether type high-molecular surfactant and preparation method and application thereof	2021-10-18
CN-113637154-A	Nonionic polyether type high-molecular surfactant and preparation method and application thereof	2021-10-18
CN-113637155-A	Anionic polyether type high-molecular surfactant and preparation method thereof	2021-10-18
CN-113817414-A	High-temperature-resistant cyanate ester insulating heat-conducting adhesive and preparation method thereof	2021-09-18
CN-113980370-A	High-hardness, high-peel-strength and yellowing-resistant hydrocarbon resin composition as well as preparation method and application thereof	2021-08-26

Literatures

PMID	Publication Date	Title	Journal
22784190	2012-08-21	Occurrence of eight bisphenol analogues in indoor dust from the United States and several Asian countries: implications for human exposure	Environmental science & technology
19419203	2009-05-14	Structure-based discovery of triphenylmethane derivatives as inhibitors of hepatitis C virus helicase	Journal of medicinal chemistry

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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