Isoliquiritigenin

C₁₅H₁₂O₄CAS 961-29-5256.26 g/mol

Open in Covalent MOL file

Alkene Ketone Phenol

Properties

Molecular formula: C₁₅H₁₂O₄
Molar mass: 256.26 g/mol
Exact mass: 256.0736 Da
Melting point: 200 °C
logP: 2.70Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

961-29-5

SMILES

O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O

InChIKey

DXDRHHKMWQZJHT-FPYGCLRLSA-N

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+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-
Chalcone, 2′,4,4′-trihydroxy-
2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (E)-
(2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
2′,4,4′-Trihydroxychalcone
GU 17
Isoliquiritigen
(E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

Work with Isoliquiritigenin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Butein487-52-583 % similar 2′,4,4′,6′-Tetrahydroxychalcone73692-50-969 % similar Isoliquiritin5041-81-656 % similar 2′-Hydroxychalcone1214-47-755 % similar 4-Hydroxychalcone20426-12-455 % similar 2,2',4,4'-Tetrahydroxybenzophenone131-55-554 % similar 1,5-Bis(4-hydroxyphenyl)-1,4-pentadien-3-one3654-49-754 % similar Isobavachalcone20784-50-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(4-Methoxybenzoyl)benzoic acid1151-15-1 Monobenzyl phthalate2528-16-7 (+)-Pinocembrin480-39-7 Liquiritigenin578-86-9

Elsewhere

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