Cas no 81555-86-4 (3-Butyn-2-ol, 4-phenyl-, (S)-)
3-Butyn-2-ol, 4-phenyl-, (S)- structure
Product Name:3-Butyn-2-ol, 4-phenyl-, (S)-
CAS No:81555-86-4
MF:C10H10O
MW:146.185802936554
CID:703738
PubChem ID:7061636
Update Time:2025-04-19
3-Butyn-2-ol, 4-phenyl-, (S)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Butyn-2-ol, 4-phenyl-, (S)-
- (+/-)-4-phenyl-3-butyn-2-ol
- 4-phenyl-3-butyn-2-ol
- methyl phenylethynyl carbinol
- methyl(phenylethynyl)carbinol
- rac-4-phenyl-3-butyne-2-ol
- 81555-86-4
- SCHEMBL2311776
- DTXSID20427654
- ZINC03882637
- (2S)-4-Phenyl-3-butyn-2-ol
- (2S)-4-phenylbut-3-yn-2-ol
- (s)-4-phenyl-3-butyn-2-ol
-
- Inchi： 1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,1H3/t9-/m0/s1
- InChI Key： JYOZFNMFSVAZAW-VIFPVBQESA-N
- SMILES： O[C@H](C#CC1C=CC=CC=1)C
Computed Properties
- Exact Mass: 146.07300
- Monoisotopic Mass: 146.073164938g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 166
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23000
- LogP: 1.41890
3-Butyn-2-ol, 4-phenyl-, (S)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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