Cas no 62367-68-4 (1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione)
62367-68-4 structure
Product Name:1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione
CAS No:62367-68-4
MF:C18H15NO2
MW:277.317204713821
CID:956580
PubChem ID:100403
Update Time:2025-04-19
1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione
- 1-(2-Phenyl-1H-indol-3-yl)-1,3-butanedione
- 1-(2-phenyl-indol-3-yl)-butane-1,3-dione
- 1,3-Butanedione, 1-(2-phenyl-1H-indol-3-yl)-
- 1H-Indole, 3-(1,3-dioxobutyl)-2-phenyl-
- AC1L2OOA
- AC1Q5CEE
- BRN 1478242
- KST-1B6679
- NSC294988
- NSC-294988
- 62367-68-4
- DTXSID90211406
- NSC 294988
-
- Inchi： 1S/C18H15NO2/c1-12(20)11-16(21)17-14-9-5-6-10-15(14)19-18(17)13-7-3-2-4-8-13/h2-10,19H,11H2,1H3
- InChI Key： WSVUDCGHZTZRRU-UHFFFAOYSA-N
- SMILES： O=C(CC(C)=O)C1=C(C2C=CC=CC=2)NC2C=CC=CC1=2
Computed Properties
- Exact Mass: 277.11035
- Monoisotopic Mass: 277.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 400
- 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: 3.2
- Topological Polar Surface Area: 49.9?2
Experimental Properties
- PSA: 49.93
1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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