Cas no 648916-73-8 (4-Hepten-3-one, 1-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-)
648916-73-8 structure
Product Name:4-Hepten-3-one, 1-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-
CAS No:648916-73-8
MF:C22H26O4
MW:354.439446926117
CID:412561
PubChem ID:71378035
Update Time:2025-04-19
4-Hepten-3-one, 1-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Hepten-3-one, 1-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-
- 1-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)hept-4-en-3-one
- DTXSID20800660
- 648916-73-8
-
- Inchi： 1S/C22H26O4/c1-24-20-13-9-17(10-14-20)6-4-5-7-19(23)12-8-18-11-15-21(25-2)22(16-18)26-3/h5,7,9-11,13-16H,4,6,8,12H2,1-3H3
- InChI Key： QMNGXRNIHMGDMC-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C=CC(=C1)CCC(C=CCCC1C=CC(=CC=1)OC)=O)OC
Computed Properties
- Exact Mass: 354.18318
- Monoisotopic Mass: 354.18310931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 10
- Complexity: 426
- 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: 4.4
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
4-Hepten-3-one, 1-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
648916-73-8 (4-Hepten-3-one, 1-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-) Related Products
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