Cas no 86293-53-0 (2-Propen-1-one,1-(4-chlorophenyl)-3-(4-hydroxyphenyl)-)
86293-53-0 structure
Product Name:2-Propen-1-one,1-(4-chlorophenyl)-3-(4-hydroxyphenyl)-
CAS No:86293-53-0
MF:C15H11ClO2
MW:258.699643373489
CID:733020
PubChem ID:244230
Update Time:2025-04-19
2-Propen-1-one,1-(4-chlorophenyl)-3-(4-hydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- 2-Propen-1-one,1-(4-chlorophenyl)-3-(4-hydroxyphenyl)-
- (E)-1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
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- Inchi： 1S/C15H11ClO2/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10,17H
- InChI Key： JQKBSQAFXLEIII-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C(C=CC1C=CC(=CC=1)O)=O
Computed Properties
- Exact Mass: 258.045
- Monoisotopic Mass: 258.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 298
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- Density: 1.292
- Boiling Point: 433.8°Cat760mmHg
- Flash Point: 216.1°C
- Refractive Index: 1.659
- PSA: 37.30000
- LogP: 3.94170
2-Propen-1-one,1-(4-chlorophenyl)-3-(4-hydroxyphenyl)- Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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