Cas no 112757-50-3 (1,3-diethyl-2-phenylbenzene)
1,3-diethyl-2-phenylbenzene structure
Product Name:1,3-diethyl-2-phenylbenzene
CAS No:112757-50-3
MF:C16H18
MW:210.314124584198
CID:2609469
PubChem ID:13956251
Update Time:2025-04-21
1,3-diethyl-2-phenylbenzene Chemical and Physical Properties
Names and Identifiers
-
- 1,3-diethyl-2-phenylbenzene
- 112757-50-3
- 1,1'-Biphenyl, 2,6-diethyl-
- DTXSID20553285
- 2,6-Diethyl-1,1'-biphenyl
-
- Inchi： 1S/C16H18/c1-3-13-11-8-12-14(4-2)16(13)15-9-6-5-7-10-15/h5-12H,3-4H2,1-2H3
- InChI Key： RQRZMHYWPGDPOU-UHFFFAOYSA-N
- SMILES： C1(C2C=CC=CC=2)C(=CC=CC=1CC)CC
Computed Properties
- Exact Mass: 210.140850574Da
- Monoisotopic Mass: 210.140850574Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 178
- 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: 5.6
- Topological Polar Surface Area: 0?2
1,3-diethyl-2-phenylbenzene Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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