Cas no 105052-80-0 (4,4',4''-[(2-Hydroxybenzene-1,3,5-triyl)tris(methylene)]tris(2,6-dimethylphenol))
![4,4',4''-[(2-Hydroxybenzene-1,3,5-triyl)tris(methylene)]tris(2,6-dimethylphenol) structure](https://ossimg.kuujia.com/scimg/105500/105052-80-0x500.png)
105052-80-0 structure
Product Name:4,4',4''-[(2-Hydroxybenzene-1,3,5-triyl)tris(methylene)]tris(2,6-dimethylphenol)
CAS No:105052-80-0
MF:C33H36O4
MW:496.636549949646
CID:2623793
PubChem ID:18921259
Update Time:2025-04-21
4,4',4''-[(2-Hydroxybenzene-1,3,5-triyl)tris(methylene)]tris(2,6-dimethylphenol) Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL4057392
- DTXSID40596497
- 4,4',4''-[(2-Hydroxybenzene-1,3,5-triyl)tris(methylene)]tris(2,6-dimethylphenol)
- 105052-80-0
-
- Inchi： 1S/C33H36O4/c1-18-7-24(8-19(2)30(18)34)13-27-16-28(14-25-9-20(3)31(35)21(4)10-25)33(37)29(17-27)15-26-11-22(5)32(36)23(6)12-26/h7-12,16-17,34-37H,13-15H2,1-6H3
- InChI Key： JWCKOVHGOPPGPE-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1CC1C=C(C)C(=C(C)C=1)O)CC1C=C(C)C(=C(C)C=1)O)CC1C=C(C)C(=C(C)C=1)O
Computed Properties
- Exact Mass: 496.26135963Da
- Monoisotopic Mass: 496.26135963Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 37
- Rotatable Bond Count: 6
- Complexity: 634
- 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: 8.5
- Topological Polar Surface Area: 80.9?2
4,4',4''-[(2-Hydroxybenzene-1,3,5-triyl)tris(methylene)]tris(2,6-dimethylphenol) Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Julia M. Yeomans Soft Matter, 2010,6, 703-704
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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