Cas no 648916-72-7 (3-Heptanone, 1-(3,4-dimethoxyphenyl)-5-hydroxy-7-(4-methoxyphenyl)-)
648916-72-7 structure
Product Name:3-Heptanone, 1-(3,4-dimethoxyphenyl)-5-hydroxy-7-(4-methoxyphenyl)-
CAS No:648916-72-7
MF:C22H28O5
MW:372.454727172852
CID:412562
PubChem ID:71378036
Update Time:2025-04-19
3-Heptanone, 1-(3,4-dimethoxyphenyl)-5-hydroxy-7-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Heptanone, 1-(3,4-dimethoxyphenyl)-5-hydroxy-7-(4-methoxyphenyl)-
- 1-(3,4-dimethoxyphenyl)-5-hydroxy-7-(4-methoxyphenyl)heptan-3-one
- 648916-72-7
- DTXSID80800661
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- Inchi： 1S/C22H28O5/c1-25-20-11-6-16(7-12-20)4-9-18(23)15-19(24)10-5-17-8-13-21(26-2)22(14-17)27-3/h6-8,11-14,18,23H,4-5,9-10,15H2,1-3H3
- InChI Key： JUPUTAQAPJGVKA-UHFFFAOYSA-N
- SMILES： OC(CC(CCC1C=CC(=C(C=1)OC)OC)=O)CCC1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 372.19374
- Monoisotopic Mass: 372.19367399g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 11
- Complexity: 419
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 65?2
Experimental Properties
- PSA: 64.99
3-Heptanone, 1-(3,4-dimethoxyphenyl)-5-hydroxy-7-(4-methoxyphenyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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
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