Cas no 794564-01-5 (2-[4-(Benzyloxy)phenyl]ethyl hexanoate)
![2-[4-(Benzyloxy)phenyl]ethyl hexanoate structure](https://ossimg.kuujia.com/scimg/795000/794564-01-5x500.png)
794564-01-5 structure
Product Name:2-[4-(Benzyloxy)phenyl]ethyl hexanoate
CAS No:794564-01-5
MF:C21H26O3
MW:326.429346561432
CID:2802377
PubChem ID:67493855
Update Time:2025-04-21
2-[4-(Benzyloxy)phenyl]ethyl hexanoate Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL2678653
- 2-[4-(BENZYLOXY)PHENYL]ETHYL HEXANOATE
- DTXSID20737381
- 794564-01-5
- 2-[4-(Benzyloxy)phenyl]ethyl hexanoate
-
- Inchi： 1S/C21H26O3/c1-2-3-5-10-21(22)23-16-15-18-11-13-20(14-12-18)24-17-19-8-6-4-7-9-19/h4,6-9,11-14H,2-3,5,10,15-17H2,1H3
- InChI Key： WQIUCGQRWFMMIA-UHFFFAOYSA-N
- SMILES： O(C(CCCCC)=O)CCC1C=CC(=CC=1)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 326.18819469Da
- Monoisotopic Mass: 326.18819469Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 11
- Complexity: 328
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.4
- Topological Polar Surface Area: 35.5?2
2-[4-(Benzyloxy)phenyl]ethyl hexanoate Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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