Cas no 208641-36-5 (2-Butanone, 4-hydroxy-4-(2-methoxyphenyl)-)
208641-36-5 structure
Product Name:2-Butanone, 4-hydroxy-4-(2-methoxyphenyl)-
CAS No:208641-36-5
MF:C11H14O3
MW:194.227063655853
CID:1400480
PubChem ID:11074275
Update Time:2025-04-20
2-Butanone, 4-hydroxy-4-(2-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone, 4-hydroxy-4-(2-methoxyphenyl)-
- 4-hydroxy-4-(2-methoxyphenyl)butan-2-one
- DTXSID90454250
- 208641-36-5
-
- Inchi： 1S/C11H14O3/c1-8(12)7-10(13)9-5-3-4-6-11(9)14-2/h3-6,10,13H,7H2,1-2H3
- InChI Key： HCCOOGWHEHRKPQ-UHFFFAOYSA-N
- SMILES： OC(CC(C)=O)C1C=CC=CC=1OC
Computed Properties
- Exact Mass: 194.09432
- Monoisotopic Mass: 194.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 191
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
2-Butanone, 4-hydroxy-4-(2-methoxyphenyl)- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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