Cas no 68400-51-1 (1-(4-ethylphenyl)-2-hydroxy-2-methylpropan-1-one)
68400-51-1 structure
Product Name:1-(4-ethylphenyl)-2-hydroxy-2-methylpropan-1-one
CAS No:68400-51-1
MF:C12H16O2
MW:192.254243850708
CID:970387
PubChem ID:110189
Update Time:2025-04-19
1-(4-ethylphenyl)-2-hydroxy-2-methylpropan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-ethylphenyl)-2-hydroxy-2-methylpropan-1-one
- 1-(4'-Ethylphenyl)-2-hydroxy-2-methylpropan-1-one
- 1-(4'-Ethylphenyl)-2-hydroxy-2-methylpropanone-1
- 1-Propanone, 1-(4-ethylphenyl)-2-hydroxy-2-methyl-
- SCHEMBL3971183
- EINECS 270-040-3
- 68400-51-1
- DTXSID4071506
- NS00036584
- YLSLKOSQWMRRFG-UHFFFAOYSA-N
-
- Inchi： 1S/C12H16O2/c1-4-9-5-7-10(8-6-9)11(13)12(2,3)14/h5-8,14H,4H2,1-3H3
- InChI Key： YLSLKOSQWMRRFG-UHFFFAOYSA-N
- SMILES： OC(C)(C)C(C1C=CC(=CC=1)CC)=O
Computed Properties
- Exact Mass: 192.11508
- Monoisotopic Mass: 192.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 200
- 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: 37.3?2
Experimental Properties
- PSA: 37.3
1-(4-ethylphenyl)-2-hydroxy-2-methylpropan-1-one Related Literature
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
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