Cas no 62643-60-1 (1,4-Pentadien-3-one, 1-(4-methoxyphenyl)-5-(4-methylphenyl)-)
62643-60-1 structure
Product Name:1,4-Pentadien-3-one, 1-(4-methoxyphenyl)-5-(4-methylphenyl)-
CAS No:62643-60-1
MF:C19H18O2
MW:278.345025539398
CID:436710
PubChem ID:71384233
Update Time:2025-04-19
1,4-Pentadien-3-one, 1-(4-methoxyphenyl)-5-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,4-Pentadien-3-one, 1-(4-methoxyphenyl)-5-(4-methylphenyl)-
- 1-(4-methoxyphenyl)-5-(4-methylphenyl)penta-1,4-dien-3-one
- DTXSID60806505
- 62643-60-1
-
- Inchi： 1S/C19H18O2/c1-15-3-5-16(6-4-15)7-11-18(20)12-8-17-9-13-19(21-2)14-10-17/h3-14H,1-2H3
- InChI Key： BDQOJPKKHOQQOU-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(C=CC(C=CC2C=CC(C)=CC=2)=O)=CC=1
Computed Properties
- Exact Mass: 278.13074
- Monoisotopic Mass: 278.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 367
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 4.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
1,4-Pentadien-3-one, 1-(4-methoxyphenyl)-5-(4-methylphenyl)- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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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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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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