Cas no 61828-54-4 (1,3-Pentanedione, 1-(2-hydroxyphenyl)-5-phenyl-)
61828-54-4 structure
Product Name:1,3-Pentanedione, 1-(2-hydroxyphenyl)-5-phenyl-
CAS No:61828-54-4
MF:C17H16O3
MW:268.307145118713
CID:465188
PubChem ID:68817669
Update Time:2025-04-19
1,3-Pentanedione, 1-(2-hydroxyphenyl)-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Pentanedione, 1-(2-hydroxyphenyl)-5-phenyl-
- 1-(2-hydroxyphenyl)-5-phenylpentane-1,3-dione
- SCHEMBL3861193
- 61828-54-4
- DTXSID70739092
-
- Inchi： 1S/C17H16O3/c18-14(11-10-13-6-2-1-3-7-13)12-17(20)15-8-4-5-9-16(15)19/h1-9,19H,10-12H2
- InChI Key： AFNRAZXMXUYAFC-UHFFFAOYSA-N
- SMILES： O=C(CC(C1C=CC=CC=1O)=O)CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 268.10998
- Monoisotopic Mass: 268.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 331
- 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: 3.8
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
1,3-Pentanedione, 1-(2-hydroxyphenyl)-5-phenyl- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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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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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
61828-54-4 (1,3-Pentanedione, 1-(2-hydroxyphenyl)-5-phenyl-) Related Products
- 2295-58-1(Flopropione)
- 610-99-1(2'-Hydroxypropiophenone)
- 40786-69-4(1-(2,4-Dihydroxy-3-propylphenyl)ethanone)
- 4390-92-5(1-(2,4-Dihydroxyphenyl)butan-1-one)
- 2887-61-8(2'-Hydroxybutyrophenone)
- 1469-94-9(1-(2-hydroxyphenyl)-3-phenyl-1,3-propanedione)
- 3516-95-8(2’-Hydroxy-3-phenylpropiophenone)
- 938-46-5(1-(2,5-Dihydroxyphenyl)propan-1-one)
- 5792-36-9(2',4'-Dihydroxypropiophenone)
- 3144-54-5(1-(2,4-Dihydroxyphenyl)-1-hexanone)
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