Cas no 681171-45-9 (Benzeneethanol, 2-ethyl-5-methoxy- (9CI))
681171-45-9 structure
Product Name:Benzeneethanol, 2-ethyl-5-methoxy- (9CI)
CAS No:681171-45-9
MF:C11H16O2
MW:180.243543624878
CID:1022838
PubChem ID:45091287
Update Time:2025-04-20
Benzeneethanol, 2-ethyl-5-methoxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanol, 2-ethyl-5-methoxy- (9CI)
- 2-(2-ethyl-5-methoxyphenyl)ethanol
- SCHEMBL6715075
- Benzeneethanol,2-ethyl-5-methoxy-(9ci)
- ZZYPHGGDMPAGNK-UHFFFAOYSA-N
- 681171-45-9
- 2-(2-Ethyl-5-methoxyphenyl)ethan-1-ol
- A1-64518
- 2-(2-Ethyl-5-methoxy-phenyl)-ethanol
- DTXSID70666793
- BENZENEETHANOL, 2-ETHYL-5-METHOXY-
- DB-285390
-
- Inchi： 1S/C11H16O2/c1-3-9-4-5-11(13-2)8-10(9)6-7-12/h4-5,8,12H,3,6-7H2,1-2H3
- InChI Key： ZZYPHGGDMPAGNK-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(CC)=C(C=1)CCO
Computed Properties
- Exact Mass: 180.115029749g/mol
- Monoisotopic Mass: 180.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 136
- 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: 2.3
- Topological Polar Surface Area: 29.5?2
Benzeneethanol, 2-ethyl-5-methoxy- (9CI) Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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