CAS 2657-25-2|CAS 20426-12-4|p-Hydroxyphenyl styryl ketone|(2E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one|4'-Hydroxychalcone|(2E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one|4-Hydroxychalcone 98%|...

Molecular Formula

C₁₅H₁₂O₂

Molecular Mass

224.25458

Exact Mass

224.08372962

InChI

InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H

InChIKey

PWWCDTYUYPOAIU-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc(cc1)/C=C/C(=O)c1ccccc1

Isomeric Smiles

O=C(c1ccccc1)/C=C/c1ccc(cc1)O

JChem

Acid pKa

9.035391

H Acceptors

H Donor

LogD (pH = 5.5)

3.5866342

LogD (pH = 7.4)

3.5768783

Log P

3.58676

Molar Refractivity

68.8579

Polarizability

25.955122

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

5282361

Synonyms

p-Hydroxyphenyl styryl ketone4'-Hydroxychalcone4-Hydroxychalcone 98%2-(4-Hydroxybenzylidene)acetophenone4-羟基查耳酮4-Hydroxychalcone4-HYDROXYBENZYLIDENEACETOPHENONE

IUPAC name

(2E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one 3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one

IUPAC Traditional name

(2E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one 4-hydroxychalcone

PubChem SID

162040884

MDL Number

MFCD00016488

Beilstein Number

2049155

Physical Property

Melting Point

183-185°C

Safety Information

MSDS Link

Download link

Safety Statements

26-37

RTECS

UD1675000

European Hazard Symbols

Irritant (Xi)

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Risk Statements

36/37/38

GHS Hazard statements

H315-H319-H335

TSCA Listed

否

Product Information

Certificate of Analysis

Download link

Application(s)

Antibacterial

Tuberculostatic

Biological Source

Constit. of Glycyrrhiza glabra roots

Purity

97%

Pharmacology Properties

Mechanism of Action

Glutathione reductase inhibitor

No Data Available

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No Data Available

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MP Biomedicals

05206573

MP Biomedicals Rare Chemical collection

From Data Sources

• Peyron, L., C. R. Hebd. Seances Acad. Sci., 1963, 257, 235, (isol, deriv)

• Dinya, Z. et al., Acta Chim. Acad. Sci. Hung., 1972, 73, 453-467, (ir)

• Shriner, R.L. et al., J.A.C.S., 1930, 52, 2538-2540, (synth)

• Wittmann, H. et al., Monatsh. Chem., 1966, 97, 896-904, (uv)

• Sasse, A. et al., Arch. Pharm. (Weinheim, Ger.), 2001, 334, 45-52, (synth, pmr)

Academic Data

PubChem

5282361

Synonyms

p-Hydroxyphenyl styryl ketone4'-Hydroxychalcone4-Hydroxychalcone 98%2-(4-Hydroxybenzylidene)acetophenone4-羟基查耳酮4-Hydroxychalcone4-HYDROXYBENZYLIDENEACETOPHENONE

IUPAC name

(2E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one 3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one

IUPAC Traditional name

(2E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one 4-hydroxychalcone

PubChem SID

162040884

MDL Number

MFCD00016488

Beilstein Number

2049155

Physical Property

Melting Point

183-185°C

Safety Information

MSDS Link

Download link

Safety Statements

26-37

RTECS

UD1675000

European Hazard Symbols

Irritant (Xi)

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Risk Statements

36/37/38

GHS Hazard statements

H315-H319-H335

TSCA Listed

否

Product Information

Certificate of Analysis

Download link

Application(s)

Antibacterial

Tuberculostatic

Biological Source

Constit. of Glycyrrhiza glabra roots

Purity

97%

Pharmacology Properties

Mechanism of Action

Glutathione reductase inhibitor

MP Biomedicals

05206573

MP Biomedicals Rare Chemical collection

From Data Sources

• Peyron, L., C. R. Hebd. Seances Acad. Sci., 1963, 257, 235, (isol, deriv)

• Dinya, Z. et al., Acta Chim. Acad. Sci. Hung., 1972, 73, 453-467, (ir)

• Shriner, R.L. et al., J.A.C.S., 1930, 52, 2538-2540, (synth)

• Wittmann, H. et al., Monatsh. Chem., 1966, 97, 896-904, (uv)

• Sasse, A. et al., Arch. Pharm. (Weinheim, Ger.), 2001, 334, 45-52, (synth, pmr)

Molecule

ID:75966