Cas no 21849-70-7 (2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-)

2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)- structure
21849-70-7 structure
Product Name:2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-
CAS No:21849-70-7
MF:C15H12O5
MW:272.252784729004
CID:261641
PubChem ID:5281222
Update Time:2025-04-19

2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-
    • BUTEIN
    • 2',3,4,4'-TETRAHYDROCHALCONE
    • 2',3,4,4'-TETRAHYDROXYCHALCONE
    • 2',4',3,4-TETRAHYDROXYCHALCONE
    • 3,4,2',4'-TETRAHYDROXYCHALCONE
    • NSC 652892
    • (E)-1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one
    • 2 inverted exclamation mark ,3,4,4 inverted exclamation mark -tetrahydroxy Chalcone
    • A871883
    • (E)-2',3,4,4'-terahydroxychalcone
    • 487-52-5
    • Butein, analytical standard
    • HSCI1_000162
    • C08578
    • Butein, solid
    • SR-05000002316-2
    • CHEBI:92312
    • Z2312273638
    • 2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-, (2E)-
    • 2',3,4,4'-Tetrahydroxy-chalcone
    • 21849-70-7
    • 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-
    • 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one
    • ISOLIQUIRITIGENIN METABOLITE M4
    • 3,4,2'',4''-tetrahydroxychalone
    • EINECS 207-659-5
    • Q5002498
    • 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-, (2E)-
    • SW219249-1
    • 2,3,4,4-tetrahydroxy Chalcone
    • 4WVS5M0LGF
    • LMPK12120111
    • CHEMBL128000
    • 2-PROPEN-1-ONE, 1-(2,4-DIHYDROXYPHENYL)-3-(3,4-DIHYDROXYPHENYL)-, (E)-
    • 3,4,2',4'-Tetrahydroxychalone
    • AKOS032948361
    • HY-16558
    • (2E)-1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one
    • TETRAHYDROXYCHALCONE, 3,4,2',4'-
    • DTXSID101025569
    • CCG-208298
    • AS-35311
    • SCHEMBL139243
    • s8036
    • UNII-4WVS5M0LGF
    • 3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phenyl)-propenone
    • AC1NQY7L
    • CHEBI:3237
    • (2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
    • CS-5675
    • Chalcone, 2',3,4,4'-tetrahydroxy-(7CI,8CI)
    • NCGC00163519-01
    • 2',3,4,4'-Tetrahydroxychalcone; Butein
    • (E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phenyl)-propenone
    • SR-05000002316
    • (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
    • BDBM50042949
    • NSC-652892
    • Chalcone, 2',3,4,4'-tetrahydroxy-
    • NSC652892
    • LAVENDUSTINC
    • B3803
    • Acrylophenone, 2',4'-dihydroxy-3-(3,4-dihydroxyphenyl)-
    • BRD-K17497770-001-01-0
    • FT-0663936
    • DTXSID501305216
    • NCI60_018489
    • HMS3653H04
    • BCP31369
    • AYMYWHCQALZEGT-UHFFFAOYSA-N
    • NS00018353
    • MolMap_000005
    • Q27164063
    • 2',3,4,4'-tetrahydroxy Chalcone
    • Inchi： 1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
    • InChI Key： AYMYWHCQALZEGT-ORCRQEGFSA-N
    • SMILES： OC1C=C(C=CC=1C(/C=C/C1C=CC(=C(C=1)O)O)=O)O

Computed Properties

  • Exact Mass: 272.06800
  • Monoisotopic Mass: 272.068473
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 367
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 98
  • XLogP3: 2.8

Experimental Properties

  • Color/Form: Yellow solid
  • Density: 1.483±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 250-252 oC
  • Solubility: Slightly soluble (1.1 g/l) (25 o C),
  • PSA: 97.99000
  • LogP: 2.40510

2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)- Security Information

  • WGK Germany：3
  • Safety Instruction： S22; S24/25
  • Safety Term：R22;R24/25

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