Cas no 41038-42-0 (1-(2,3,4-Trimethoxyphenyl)ethanol)
41038-42-0 structure
Product Name:1-(2,3,4-Trimethoxyphenyl)ethanol
CAS No:41038-42-0
MF:C11H16O4
MW:212.242343902588
CID:2620714
PubChem ID:13542890
Update Time:2025-04-21
1-(2,3,4-Trimethoxyphenyl)ethanol Chemical and Physical Properties
Names and Identifiers
-
- 41038-42-0
- 1-(2,3,4-TRIMETHOXYPHENYL)ETHANOL
- DTXSID901345850
- (S)-1-(2,3,4-Trimethoxyphenyl)ethan-1-ol
- 120466-69-5
- (R)-1-(2,3,4-Trimethoxyphenyl)ethan-1-ol
- 1568104-46-0
- 1-(2,3,4-Trimethoxyphenyl)ethanol
-
- Inchi： 1S/C11H16O4/c1-7(12)8-5-6-9(13-2)11(15-4)10(8)14-3/h5-7,12H,1-4H3
- InChI Key： KBCIPNISEQNFCY-UHFFFAOYSA-N
- SMILES： O(C)C1C(=C(C=CC=1C(C)O)OC)OC
Computed Properties
- Exact Mass: 212.10485899g/mol
- Monoisotopic Mass: 212.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 185
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 47.9?2
1-(2,3,4-Trimethoxyphenyl)ethanol Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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