Basic information
- CAS
1776-30-3- Standard SMILES
O=C(/C=C/c1ccc(O)cc1O)c1ccccc1- InChIKey
LKNPFZQVNZFLIC-VQHVLOKHSA-N- Molecular formula
- C15H12O3
- Average molar mass
- 240.25 g/mol
- Monoisotopic mass
- 240.07864424
Overview
2,4-Dihydroxychalcone is a member of chalcones.
Names & identifiers
- Preferred name
- 2,4-Dihydroxychalcone
- IUPAC
- (E)-3-(2,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one
- English name
- 2',4'-Dihydroxychalcone
- Molecular formula
- C15H12O3
- Molecular weight
- 240.25
Names & synonyms
2,4-dihydroxychalcone(E)-3-(2,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one(2E)-3-(2,4-dihydroxyphenyl)-1-phenylprop-2-en-1-oneRefChem:1059751CHEMBL373249NSC 401492BRN 2052485SCHEMBL7925073CHEBI:174241BDBM50625108DB-3464804-08-00-02543 (Beilstein Handbook Reference)
Show more names
1-(2,4-Dihydroxyphenyl)-3-phenylprop-2-en-1-one2',4'-DHC2',4'-Dihydroxychalcone2’,4’-dihydroxy-chalcon2',4'-dihydroxylchalcone2'',4''-DIHYDROXYCHALCONE3-(2,4-DIHYDROXYPHENYL)-ACRYLOPHENONE2'',4''-DIHYDROXYCHALCONE, 10 mM in DMSO1-(2,4-Dihydroxy-phenyl)-3-phenyl-propenone1-(2,4-dihydroxyphenyl)-3-phenyl-2-propen-1-on
(E)-3-(2,4-dihydroxyphenyl)-1-phenyl-prop-2-en-1-one
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 170 °C · 170°C
- Boiling point
- 453.5 · 453.5±38.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- powder
- pka
- 7.42 · 7.42±0.35(Predicted)
- color
- Yellow
- InChI
- InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H
- InChIKey
- JUMSUVHHUVPSOY-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(O)C=C1O)(=O)C=CC1=CC=CC=C1
- FDA UNII
- 7 LF69Z68L · M7LF69Z68L
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Usesanthelmintic, antiulcer, antineoplastic
Upstream & downstream products
Upstream raw materials
Suppliers49 total
上海达立康医药科技有限公司18658316824 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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