Cas no 99742-10-6 (4-Hexadecen-3-one,1-(4-hydroxy-3-methoxyphenyl)-)
99742-10-6 structure
Product Name:4-Hexadecen-3-one,1-(4-hydroxy-3-methoxyphenyl)-
CAS No:99742-10-6
MF:C23H36O3
MW:360.53014755249
CID:814705
PubChem ID:85080428
Update Time:2025-04-19
4-Hexadecen-3-one,1-(4-hydroxy-3-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Hexadecen-3-one,1-(4-hydroxy-3-methoxyphenyl)-
- DTXSID20873733
- 99742-10-6
- [12]-Shogaol
-
- Inchi： 1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(24)17-15-20-16-18-22(25)23(19-20)26-2/h13-14,16,18-19,25H,3-12,15,17H2,1-2H3
- InChI Key： WCQFXNQALHURHS-UHFFFAOYSA-N
- SMILES： O=C(CCC1C=CC(=C(C=1)OC)O)C=CCCCCCCCCCCC
Computed Properties
- Exact Mass: 360.26644501g/mol
- Monoisotopic Mass: 360.26644501g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 15
- Complexity: 378
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 6.9
- Topological Polar Surface Area: 46.5?2
4-Hexadecen-3-one,1-(4-hydroxy-3-methoxyphenyl)- Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
99742-10-6 (4-Hexadecen-3-one,1-(4-hydroxy-3-methoxyphenyl)-) Related Products
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