Cas no 69629-17-0 (Benzeneethanol,4-(3-hydroxycyclohexyl)-, cis- (9CI))
69629-17-0 structure
Product Name:Benzeneethanol,4-(3-hydroxycyclohexyl)-, cis- (9CI)
CAS No:69629-17-0
MF:C14H20O2
MW:220.307404518127
CID:515882
PubChem ID:3053225
Update Time:2025-04-19
Benzeneethanol,4-(3-hydroxycyclohexyl)-, cis- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanol,4-(3-hydroxycyclohexyl)-, cis- (9CI)
- (1S,3R)-3-[4-(2-hydroxyethyl)phenyl]cyclohexan-1-ol
- DTXSID00219897
- cis-((Hydroxy-3 cyclohexyl)-4 phenyl)-2 ethanol
- 69629-17-0
- cis-((Hydroxy-3 cyclohexyl)-4 phenyl)-2 ethanol [French]
- Benzeneethanol, 4-(3-hydroxycyclohexyl)-, cis-
- cis-4-(3-Hydroxycyclohexyl)benzeneethanol
- Cyclohexanol, 3-(4-(2-hydroxyethyl)phenyl)-, (Z)-
-
- Inchi： 1S/C14H20O2/c15-9-8-11-4-6-12(7-5-11)13-2-1-3-14(16)10-13/h4-7,13-16H,1-3,8-10H2/t13-,14+/m1/s1
- InChI Key： JHJYVGTYERCKFN-KGLIPLIRSA-N
- SMILES： O[C@H]1CCC[C@@H](C2C=CC(CCO)=CC=2)C1
Computed Properties
- Exact Mass: 220.1464
- Monoisotopic Mass: 220.14633
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 197
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5
- XLogP3: 2.3
Experimental Properties
- Density: 1.112
- Boiling Point: 388.9°Cat760mmHg
- Flash Point: 185.9°C
- Refractive Index: 1.568
- PSA: 40.46
Benzeneethanol,4-(3-hydroxycyclohexyl)-, cis- (9CI) Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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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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