Cas no 35730-02-0 (1-(4-Methylphenyl)-3-phenylpropan-2-one)
35730-02-0 structure
Product Name:1-(4-Methylphenyl)-3-phenylpropan-2-one
CAS No:35730-02-0
MF:C16H16O
MW:224.297644615173
CID:2823644
PubChem ID:12424310
Update Time:2025-04-21
1-(4-Methylphenyl)-3-phenylpropan-2-one Chemical and Physical Properties
Names and Identifiers
-
- DTXSID80497616
- 35730-02-0
- p-methyldibenzylketone
- DTXCID80448426
- SCHEMBL11219229
- 1-(4-methylphenyl)-3-phenylacetone
- 1-(4-Methylphenyl)-3-phenylpropan-2-one
-
- Inchi: 1S/C16H16O/c1-13-7-9-15(10-8-13)12-16(17)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
- InChI Key: KBBDOKNCFKDMBK-UHFFFAOYSA-N
- SMILES: O=C(CC1C=CC=CC=1)CC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 224.120115130Da
- Monoisotopic Mass: 224.120115130Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 232
- 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: 17.1?2
1-(4-Methylphenyl)-3-phenylpropan-2-one Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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