2′,4,4′-Trihydroxychalcone

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as chalcones and dihydrochalcones. These are organic compounds containing 1,3-Diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar,or its derivatives formed by substitution.

Chalcones and dihydrochalcones

Organic compounds

Phenylpropanoids and polyketides

Linear 1,3-diarylpropanoids

Chalcones and dihydrochalcones

Calculated Property

kind Value Source
logP 3.04 ALOGPS
logS -3.7 ALOGPS
Water Solubility 5.51e-02 g/l ALOGPS
logP 3.63 ChemAxon
IUPAC Name (2E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one ChemAxon
Traditional IUPAC Name isoliquiritigenin ChemAxon
Molecular Weight 256.2534 ChemAxon
Monoisotopic Weight 256.073558872 ChemAxon
SMILES OC1=CC=C(C=CC(=O)C2=CC=C(O)C=C2O)C=C1 ChemAxon
Molecular Formula C15H12O4 ChemAxon
InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+ ChemAxon
InChIKey InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N ChemAxon
Polar Surface Area (PSA) 77.76 ChemAxon
Refractivity 72.82 ChemAxon
Polarizability 26.66 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 7.75 ChemAxon
pKa (strongest basic) -5.9 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon