Cas no 38495-73-7 ( )
structure
Product Name:
CAS No:38495-73-7
MF:C16H16O2
MW:240.297044754028
CID:923581
PubChem ID:262630
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-Aethoxy-phenacetophenon; AC1Q5EK0; 4-ethoxy-deoxybenzoin; ethanone, 1-(4-ethoxyphenyl)-2-phenyl-; SureCN6203036; NCIOpen2_007085; p-Ethoxy-phenyl-benzyl-keton; ChemDiv2_002119; ST4023504; MLS002703341; NSC96519; 4-Aethoxy-desoxybenzoin; p-Ethoxyphenyl-benzyl-keton;
- CHEMBL1700849
- NCIOpen2_007085
- AKOS001703631
- SMR001570063
- 1-(4-ethoxyphenyl)-2-phenylethan-1-one
- ChemDiv2_002119
- SCHEMBL6203036
- HMS1375A07
- STK753325
- SR-01000513162
- NSC96519
- EU-0017785
- 38495-73-7
- NSC-96519
- SR-01000513162-1
- MLS002703341
- DTXSID70294414
- 1-(4-ethoxyphenyl)-2-phenylethanone
-
-
- Inchi： 1S/C16H16O2/c1-2-18-15-10-8-14(9-11-15)16(17)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
- InChI Key： VTSGNASCRQVFMA-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC(=CC=1)C(CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 240.11508
- Monoisotopic Mass: 240.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 248
- 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: 3.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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