Cas no 68400-52-2 (2-hydroxy-2-methyl-4'-propylpropiophenone)
68400-52-2 structure
Product Name:2-hydroxy-2-methyl-4'-propylpropiophenone
CAS No:68400-52-2
MF:C13H18O2
MW:206.280824184418
CID:970388
PubChem ID:110190
Update Time:2025-04-19
2-hydroxy-2-methyl-4'-propylpropiophenone Chemical and Physical Properties
Names and Identifiers
-
- 2-hydroxy-2-methyl-4'-propylpropiophenone
- 1-(4'-Propylphenyl)-2-hydroxy-2-methylpropanone-1
- 1-Propanone, 2-hydroxy-2-methyl-1-(4-propylphenyl)-
- 2-hydroxy-2-methyl-1-(4-propylphenyl)propan-1-one
- SCHEMBL1060928
- 68400-52-2
- EINECS 270-041-9
- NS00036585
- DTXSID9071507
- VOGSBOVWPQXXAH-UHFFFAOYSA-N
-
- Inchi： 1S/C13H18O2/c1-4-5-10-6-8-11(9-7-10)12(14)13(2,3)15/h6-9,15H,4-5H2,1-3H3
- InChI Key： VOGSBOVWPQXXAH-UHFFFAOYSA-N
- SMILES： OC(C)(C)C(C1C=CC(=CC=1)CCC)=O
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 213
- 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: 2.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-hydroxy-2-methyl-4'-propylpropiophenone Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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