Cas no 128701-01-9 (4-Hepten-3-one,1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (4E)-)
128701-01-9 structure
Product Name:4-Hepten-3-one,1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (4E)-
CAS No:128701-01-9
MF:C20H22O4
MW:326.386286258698
CID:213521
PubChem ID:5317593
Update Time:2025-04-19
4-Hepten-3-one,1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (4E)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Hepten-3-one,1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (4E)-
- 4-Hepten-3-one,1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (E)-
- Gingerenone C
- 4-Hepten-3-one, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (4E)-
- (4E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
- 128701-01-9
- 1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-4-hepten-3-one
- DTXSID001317537
- Q27139034
- CHEBI:70703
- 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-(4E)-4-hepten-3-one
- CHEMBL1270357
- (E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
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- Inchi： 1S/C20H22O4/c1-24-20-14-16(9-13-19(20)23)8-12-17(21)5-3-2-4-15-6-10-18(22)11-7-15/h3,5-7,9-11,13-14,22-23H,2,4,8,12H2,1H3/b5-3+
- InChI Key： JYHZFCAVESZNKO-HWKANZROSA-N
- SMILES： C(C1=CC=C(O)C(OC)=C1)CC(=O)/C=C/CCC1=CC=C(O)C=C1
Computed Properties
- Exact Mass: 326.15186
- Monoisotopic Mass: 326.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 8
- Complexity: 398
- 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: 3.8
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
4-Hepten-3-one,1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (4E)- Related Literature
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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