Cas no 879219-31-5 (1,3-Bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-ethylbenzene)
879219-31-5 structure
Product Name:1,3-Bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-ethylbenzene
CAS No:879219-31-5
MF:C50H46O6
MW:742.896654605865
CID:2810930
PubChem ID:59592424
Update Time:2025-04-21
1,3-Bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-ethylbenzene Chemical and Physical Properties
Names and Identifiers
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- SCHEMBL21026818
- 1,3-Bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-ethylbenzene
- DTXSID90732449
- 879219-31-5
- 1,1',1'',1'''-{(5-Ethyl-1,3-phenylene)bis[oxymethylenebenzene-5,1,3-triylbis(oxymethylene)]}tetrabenzene
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- Inchi: 1S/C50H46O6/c1-2-38-23-45(55-36-43-25-47(51-32-39-15-7-3-8-16-39)30-48(26-43)52-33-40-17-9-4-10-18-40)29-46(24-38)56-37-44-27-49(53-34-41-19-11-5-12-20-41)31-50(28-44)54-35-42-21-13-6-14-22-42/h3-31H,2,32-37H2,1H3
- InChI Key: ZPMOWIOMDPVJRD-UHFFFAOYSA-N
- SMILES: O(CC1C=C(C=C(C=1)OCC1C=CC=CC=1)OCC1C=CC=CC=1)C1C=C(C=C(C=1)CC)OCC1C=C(C=C(C=1)OCC1C=CC=CC=1)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 742.32943918Da
- Monoisotopic Mass: 742.32943918Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 56
- Rotatable Bond Count: 19
- Complexity: 893
- 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: 11.5
- Topological Polar Surface Area: 55.4?2
1,3-Bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-ethylbenzene Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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