CAS 42224-53-3|CAS 644-78-0|2-Hydroxychalcone|(2E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one|(2E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one|3-(2-Hydroxyphenyl)-1-phenylprop-2-en-1-one|3-(2-hydro...

General Information

Structure

Molecular Formula

C₁₅H₁₂O₂

Molecular Mass

224.25458

Exact Mass

224.08372962

Charge

InChI

InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H/b11-10+

InChIKey

UDOOPSJCRMKSGL-ZHACJKMWSA-N

Canonic Smiles

O=C(c1ccccc1)/C=C/c1ccccc1O

Isomeric Smiles

C(=C\c1c(cccc1)O)/C(=O)c1ccccc1

Calculated Properties

JChem

Acid pKa

8.858568

H Acceptors

H Donor

LogD (pH = 5.5)

3.586571

LogD (pH = 7.4)

3.5719995

Log P

3.58676

Molar Refractivity

68.8579

Polarizability

25.957438

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-Hydroxychalcone2-Hydroxychalcone 98%3-(2-Hydroxyphenyl)-1-phenylprop-2-en-1-one2-羟基查酮2-Hydroxychalcone2-(2-Hydroxybenzylidene)acetophenone2-羟基查耳酮3-(2-Hydroxyphenyl)-1-phenyl-2-propen-1-one

IUPAC Traditional name

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

IUPAC name

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

Names and Identifiers

Registration numbers

MDL Number

PubChem SID

CAS Number

PubChem CID

EC Number

Beilstein Number

Registration numbers

Properties

Product Information

Purity

98%

95%

98+%

Linear Formula

HOC6H4CH=CHCOC6H5

Physical Property

Melting Point

154°C(dec)

144-150°C

144-150 °C(lit.)

ca 154°C dec.

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

513067

Packaging
5 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• 2-Hydroxychalcones can be cyclized to 2-phenylbenzo[b]furan derivatives with iodine and potassium carbonate in THF: Synlett, 1657 (2006).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC Traditional name

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

IUPAC name

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

Registration numbers

MDL Number

PubChem SID

CAS Number

PubChem CID

EC Number

Beilstein Number

Properties

Product Information

Purity

98%

95%

98+%

Linear Formula

HOC6H4CH=CHCOC6H5

Physical Property

Melting Point

154°C(dec)

144-150°C

144-150 °C(lit.)

ca 154°C dec.

Molecule Details

Sigma Aldrich

513067

Packaging
5 g in glass bottle

References

PubChem Literature

From Data Sources

• 2-Hydroxychalcones can be cyclized to 2-phenylbenzo[b]furan derivatives with iodine and potassium carbonate in THF: Synlett, 1657 (2006).

Bioactivity

PubChem BioAssay

Molecule

ID:7839