(E)-1-(2,4-Dihydroxy-phenyl)-3-phenyl-propenone

ID: ALA105310

Chembl Id: CHEMBL105310

Cas Number: 1776-30-3

PubChem CID: 5376979

Max Phase: Preclinical

Molecular Formula: C15H12O3

Molecular Weight: 240.26

Molecule Type: Small molecule

Names and Identifiers

Synonyms: (E)-2',4'-Dihydroxychalcone | 2',4'-Dihydroxychalcone | 2',4'-Dihydroxychalcone|1776-30-3|1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one|25515-43-9|(E)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one|CHALCONE, 2',4'-DIHYDROXY-|2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl-|CHEMBL105310|1-(2,4-Dihydroxyphenyl)-3-phenyl-2-propen-1-one|NSC-401492|1-(2,4-Dihydroxy-phenyl)-3-phenyl-propenone|(E)-2',4'-Dihydroxychalcone|NSC401492|Chalcone,4'-dihydroxy-|2-Benzylidene-2',4'-dihydroxyacetophenone|2''Show More⌵

Canonical SMILES:  O=C(/C=C/c1ccccc1)c1ccc(O)cc1O

Standard 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/b9-6+

Standard InChI Key:  JUMSUVHHUVPSOY-RMKNXTFCSA-N

Alternative Forms

1. Parent:

   

   ALA105310

   2',4'-DIHYDROXYCHALCONE

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 240.26

Molecular Weight (Monoisotopic): 240.0786

AlogP: 2.99

#Rotatable Bonds: 3

Polar Surface Area: 57.53

Molecular Species: NEUTRAL

HBA: 3

HBD: 2

#RO5 Violations: 0

HBA (Lipinski): 3

HBD (Lipinski): 2

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 7.12

CX Basic pKa:

CX LogP: 3.93

CX LogD: 3.46

Aromatic Rings: 2

Heavy Atoms: 18

QED Weighted: 0.64

Np Likeness Score: 0.61

References

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Source

Source(3):

• Scientific Literature
• PubChem BioAssays
• IMI-CARE SARS-CoV-2 Data