Cas no 54094-07-4 (Methanone, (4-chlorophenyl)(3,4,5-trimethoxyphenyl)-)
54094-07-4 structure
Product Name:Methanone, (4-chlorophenyl)(3,4,5-trimethoxyphenyl)-
CAS No:54094-07-4
MF:C16H15ClO4
MW:306.740904092789
CID:355547
PubChem ID:43338276
Update Time:2025-04-19
Methanone, (4-chlorophenyl)(3,4,5-trimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (4-chlorophenyl)(3,4,5-trimethoxyphenyl)-
- (4-chlorophenyl)-(3,4,5-trimethoxyphenyl)methanone
- (4-chlorophenyl)(3,4,5-trimethoxyphenyl)methanone
- DTXSID00655877
- 54094-07-4
- (4-Chloro-phenyl)-(3,4,5-trimethoxy-phenyl)-methanone
-
- Inchi： 1S/C16H15ClO4/c1-19-13-8-11(9-14(20-2)16(13)21-3)15(18)10-4-6-12(17)7-5-10/h4-9H,1-3H3
- InChI Key： WJQPUBWELGCSRR-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C(C1C=C(C(=C(C=1)OC)OC)OC)=O
Computed Properties
- Exact Mass: 306.06595
- Monoisotopic Mass: 306.0658866g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 327
- 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: 3.8
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- Density: 1.219±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Almost insoluble (0.027 g/l) (25 o C),
- PSA: 44.76
Methanone, (4-chlorophenyl)(3,4,5-trimethoxyphenyl)- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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