Cas no 69740-66-5 (Benzofuran, 2,5-dimethyl-3-phenyl-)
69740-66-5 structure
Product Name:Benzofuran, 2,5-dimethyl-3-phenyl-
CAS No:69740-66-5
MF:C16H14O
MW:222.281764507294
CID:391412
PubChem ID:3729473
Update Time:2025-04-19
Benzofuran, 2,5-dimethyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzofuran, 2,5-dimethyl-3-phenyl-
- 2,5-dimethyl-3-phenyl-1-benzofuran
- 2,5-dimethyl-3-phenylbenzo-furan
- 2,5-Dimethyl-3-phenylbenzofuran
- DTXSID20395627
- 69740-66-5
-
- Inchi： 1S/C16H14O/c1-11-8-9-15-14(10-11)16(12(2)17-15)13-6-4-3-5-7-13/h3-10H,1-2H3
- InChI Key： QVUTUWQJUFAOJB-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C2C=CC=CC=2)C2C=C(C)C=CC1=2
Computed Properties
- Exact Mass: 222.10452
- Monoisotopic Mass: 222.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 256
- 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: 4.7
- Topological Polar Surface Area: 13.1?2
Experimental Properties
- PSA: 13.14
Benzofuran, 2,5-dimethyl-3-phenyl- Related Literature
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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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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5. 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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