Cas no 161679-94-3 (Phenol,4-[1-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]-1-methylethyl]-2,6-bis(methoxymethyl)-)
![Phenol,4-[1-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]-1-methylethyl]-2,6-bis(methoxymethyl)- structure](https://ossimg.kuujia.com/scimg/162000/161679-94-3x500.png)
161679-94-3 structure
Product Name:Phenol,4-[1-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]-1-methylethyl]-2,6-bis(methoxymethyl)-
CAS No:161679-94-3
MF:C41H52O9
MW:688.846193313599
CID:1341568
PubChem ID:15334446
Update Time:2025-04-20
Phenol,4-[1-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]-1-methylethyl]-2,6-bis(methoxymethyl)- Chemical and Physical Properties
Names and Identifiers
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- Phenol,4-[1-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]-1-methylethyl]-2,6-bis(methoxymethyl)-
- 4,4'-(1-(4-(2-(4-Hydroxy-3,5-bis(methoxymethyl)phenyl)propan-2-yl)phenyl)ethane-1,1-diyl)bis(2,6-bis(methoxymethyl)phenol)
- SCHEMBL1089974
- 161679-94-3
-
- Inchi： 1S/C41H52O9/c1-40(2,34-14-26(20-45-4)37(42)27(15-34)21-46-5)32-10-12-33(13-11-32)41(3,35-16-28(22-47-6)38(43)29(17-35)23-48-7)36-18-30(24-49-8)39(44)31(19-36)25-50-9/h10-19,42-44H,20-25H2,1-9H3
- InChI Key： MAWMNKHLPICIOA-UHFFFAOYSA-N
- SMILES： OC1C(COC)=CC(=CC=1COC)C(C)(C1C=C(COC)C(=C(COC)C=1)O)C1C=CC(=CC=1)C(C)(C)C1C=C(COC)C(=C(COC)C=1)O
Computed Properties
- Exact Mass: 688.36126
- Monoisotopic Mass: 688.36113323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 50
- Rotatable Bond Count: 17
- Complexity: 884
- 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: 5.5
- Topological Polar Surface Area: 116?2
Experimental Properties
- PSA: 116.07
Phenol,4-[1-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]-1-methylethyl]-2,6-bis(methoxymethyl)- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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