Cas no 794564-03-7 (Hexadecanoic acid, 2-[4-(phenylmethoxy)phenyl]ethyl ester)
![Hexadecanoic acid, 2-[4-(phenylmethoxy)phenyl]ethyl ester structure](https://ossimg.kuujia.com/scimg/795000/794564-03-7x500.png)
794564-03-7 structure
Product Name:Hexadecanoic acid, 2-[4-(phenylmethoxy)phenyl]ethyl ester
CAS No:794564-03-7
MF:C31H46O3
MW:466.695149898529
CID:1797754
PubChem ID:66860687
Update Time:2025-04-21
Hexadecanoic acid, 2-[4-(phenylmethoxy)phenyl]ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexadecanoic acid, 2-[4-(phenylmethoxy)phenyl]ethyl ester
- 2-(4-phenylmethoxyphenyl)ethyl hexadecanoate
- 794564-03-7
- 2-[4-(BENZYLOXY)PHENYL]ETHYL HEXADECANOATE
- DTXSID40735905
- SCHEMBL966256
-
- Inchi： 1S/C31H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-31(32)33-26-25-28-21-23-30(24-22-28)34-27-29-18-15-14-16-19-29/h14-16,18-19,21-24H,2-13,17,20,25-27H2,1H3
- InChI Key： YDMJPLKEVXVKJS-UHFFFAOYSA-N
- SMILES： O(CCC1C=CC(=CC=1)OCC1C=CC=CC=1)C(CCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 466.34469533g/mol
- Monoisotopic Mass: 466.34469533g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 34
- Rotatable Bond Count: 21
- Complexity: 463
- 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: 10.9
- Topological Polar Surface Area: 35.5?2
Hexadecanoic acid, 2-[4-(phenylmethoxy)phenyl]ethyl ester Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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