Cas no 52206-95-8 (Methanone, [1,4-butanediylbis(oxy-4,1-phenylene)]bis[phenyl-)
52206-95-8 structure
Product Name:Methanone, [1,4-butanediylbis(oxy-4,1-phenylene)]bis[phenyl-
CAS No:52206-95-8
MF:C30H26O4
MW:450.525048732758
CID:360186
PubChem ID:20340700
Update Time:2025-04-19
Methanone, [1,4-butanediylbis(oxy-4,1-phenylene)]bis[phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, [1,4-butanediylbis(oxy-4,1-phenylene)]bis[phenyl-
- [4-[4-(4-benzoylphenoxy)butoxy]phenyl]-phenylmethanone
- 52206-95-8
- DTXSID90605684
- [Butane-1,4-diylbis(oxy-4,1-phenylene)]bis(phenylmethanone)
- 1,4-bis(4-benzoylphenoxy)butane
- SCHEMBL11485988
- DLSRJANXRDIJQB-UHFFFAOYSA-N
-
- Inchi: 1S/C30H26O4/c31-29(23-9-3-1-4-10-23)25-13-17-27(18-14-25)33-21-7-8-22-34-28-19-15-26(16-20-28)30(32)24-11-5-2-6-12-24/h1-6,9-20H,7-8,21-22H2
- InChI Key: DLSRJANXRDIJQB-UHFFFAOYSA-N
- SMILES: O(C1C=CC(C(C2C=CC=CC=2)=O)=CC=1)CCCCOC1C=CC(C(C2C=CC=CC=2)=O)=CC=1
Computed Properties
- Exact Mass: 450.18318
- Monoisotopic Mass: 450.18310931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 11
- Complexity: 549
- 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: 7
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Methanone, [1,4-butanediylbis(oxy-4,1-phenylene)]bis[phenyl- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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