Cas no 76444-55-8 (1-Propanone,1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-)
76444-55-8 structure
Product Name:1-Propanone,1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-
CAS No:76444-55-8
MF:C18H20O4
MW:300.349005699158
CID:566985
PubChem ID:131162
Update Time:2025-04-19
1-Propanone,1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-one
- 1-Propanone,1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-
- angoletin
- DTXSID00227255
- 2',4'-Dihydroxy-6'-methoxy-3',5'-dimethyldihydrochalcone
- CHEBI:139441
- MEGxp0_001393
- LMPK12120491
- ON-III compound
- BRD-K04355583-001-01-2
- 1-Propanone, 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-
- ACon1_001290
- 76444-55-8
- NCGC00180663-01
- CHEMBL452234
-
- Inchi： 1S/C18H20O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-8,20-21H,9-10H2,1-3H3
- InChI Key： HBRYKWADRULLHU-UHFFFAOYSA-N
- SMILES： O(C)C1C(C)=C(C(C)=C(C=1C(CCC1C=CC=CC=1)=O)O)O
Computed Properties
- Exact Mass: 300.1362
- Monoisotopic Mass: 300.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 364
- 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: 4
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- Density: 1.193
- Boiling Point: 491.6°C at 760 mmHg
- Flash Point: 177.7°C
- Refractive Index: 1.595
- PSA: 66.76
1-Propanone,1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids 2'-Hydroxy-dihydrochalcones
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones 2'-Hydroxy-dihydrochalcones
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