Cas no 65602-54-2 (1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-(3,4-dimethoxyphenyl)propenone)
65602-54-2 structure
Product Name:1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-(3,4-dimethoxyphenyl)propenone
CAS No:65602-54-2
MF:C20H22O7
MW:374.384486675262
CID:2012287
PubChem ID:13802644
Update Time:2025-04-21
1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-(3,4-dimethoxyphenyl)propenone Chemical and Physical Properties
Names and Identifiers
-
- 1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-(3,4-dimethoxyphenyl)propenone
- 2'-hydroxy-3,4,4',5',6'-pentamethoxychalcone
- 6'-Hydroxy-2',3,3',4,4'-pentamethoxychalcone
- 6'-hydroxy-3,4,2',3',4'-pentamethoxy-trans(?)-chalcone
- 6'-Hydroxy-3,4,2',3',4'-pentamethoxy-trans(?)-chalkon
- 114021-62-4
- LMPK12120347
- CHEMBL458376
- 6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone
- AKOS040763835
- (E)-3-(3,4-dimethoxyphenyl)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)prop-2-en-1-one
- CS-0617803
- SCHEMBL4134075
- DA-70305
- 65602-54-2
- HY-N10607
-
- Inchi： 1S/C20H22O7/c1-23-15-9-7-12(10-16(15)24-2)6-8-13(21)18-14(22)11-17(25-3)19(26-4)20(18)27-5/h6-11,22H,1-5H3/b8-6+
- InChI Key： YYGVWBCOVUSNQT-SOFGYWHQSA-N
- SMILES： COC1C(OC)=CC(/C=C/C(C2C(OC)=C(OC)C(OC)=CC=2O)=O)=CC=1
Computed Properties
- Exact Mass: 374.13655304Da
- Monoisotopic Mass: 374.13655304Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 8
- Complexity: 495
- 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
- XLogP3: 2.552
- Topological Polar Surface Area: 83.5?2
1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-(3,4-dimethoxyphenyl)propenone Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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