Cas no 214601-93-1 (Methanone, [5-methyl-2-(phenylmethoxy)phenyl]phenyl-)
214601-93-1 structure
Product Name:Methanone, [5-methyl-2-(phenylmethoxy)phenyl]phenyl-
CAS No:214601-93-1
MF:C21H18O2
MW:302.366425991058
CID:1401309
PubChem ID:22648426
Update Time:2025-04-20
Methanone, [5-methyl-2-(phenylmethoxy)phenyl]phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, [5-methyl-2-(phenylmethoxy)phenyl]phenyl-
- (5-methyl-2-phenylmethoxyphenyl)-phenylmethanone
- DTXSID40627331
- 214601-93-1
- SCHEMBL5171831
- [2-(Benzyloxy)-5-methylphenyl](phenyl)methanone
-
- Inchi: 1S/C21H18O2/c1-16-12-13-20(23-15-17-8-4-2-5-9-17)19(14-16)21(22)18-10-6-3-7-11-18/h2-14H,15H2,1H3
- InChI Key: NQKKAGIVNUMNFM-UHFFFAOYSA-N
- SMILES: O(CC1C=CC=CC=1)C1C=CC(C)=CC=1C(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 302.13074
- Monoisotopic Mass: 302.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 366
- 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: 5.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Methanone, [5-methyl-2-(phenylmethoxy)phenyl]phenyl- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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