Cas no 52489-58-4 (Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxy-3,5-dimethylphenyl)-)
52489-58-4 structure
Product Name:Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxy-3,5-dimethylphenyl)-
CAS No:52489-58-4
MF:C19H18O3
MW:294.344425678253
CID:359501
PubChem ID:11369883
Update Time:2025-04-19
Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxy-3,5-dimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxy-3,5-dimethylphenyl)-
- (2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-dimethylphenyl)methanone
- 52489-58-4
- DTXSID50463863
- QDFXYZHYSUTYPW-UHFFFAOYSA-N
- CHEMBL225481
- (2-ethylbenzofuran-3-yl)(4-hydroxy-3,5-dimethylphenyl)methanone
- SCHEMBL1287573
- BDBM50158458
-
- Inchi： 1S/C19H18O3/c1-4-15-17(14-7-5-6-8-16(14)22-15)19(21)13-9-11(2)18(20)12(3)10-13/h5-10,20H,4H2,1-3H3
- InChI Key： QDFXYZHYSUTYPW-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2C(C(C2C=C(C)C(=C(C)C=2)O)=O)=C1CC
Computed Properties
- Exact Mass: 294.12564
- Monoisotopic Mass: 294.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 396
- 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: 5
- Topological Polar Surface Area: 50.4?2
Experimental Properties
- PSA: 50.44
Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxy-3,5-dimethylphenyl)- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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