(2,4-Dihydroxy-6-methylphenyl)-(2-hydroxy-4-methoxy-6-methylphenyl)methanone
Basic information
- CAS
21147-34-2- Standard SMILES
COc1cc(C)c(C(=O)c2c(C)cc(O)cc2O)c(O)c1- InChIKey
DEXKKZDNPAOTED-UHFFFAOYSA-N- Molecular formula
- C16H16O5
- Average molar mass
- 288.29 g/mol
- Monoisotopic mass
- 288.09977361
Names & identifiers
- Preferred name
- (2,4-Dihydroxy-6-methylphenyl)-(2-hydroxy-4-methoxy-6-methylphenyl)methanone
- IUPAC
- (2,4-dihydroxy-6-methylphenyl)-(2-hydroxy-4-methoxy-6-methylphenyl)methanone
- English name
- 2,2',4-Trihydroxy-4'-methoxy-6,6'-dimethylbenzophenone
- Molecular formula
- C16H16O5
- Molecular weight
- 288.3
Names & synonyms
DTXSID3034377521147-34-2(2,4-dihydroxy-6-methylphenyl)-(2-hydroxy-4-methoxy-6-methylphenyl)methanoneRefChem:205528DTXCID10294852Benzophenone, 2,2',4-trihydroxy-4'-methoxy-6,6'-dimethyl-DEXKKZDNPAOTED-UHFFFAOYSA-N2,2',4-Trihydroxy-4'-methoxy-6,6'-dimethylbenzophenone(2,4-Dihydroxy-6-methylphenyl)(2-hydroxy-4-methoxy-6-methylphenyl)methanone(2,4-Dihydroxy-6-methylphenyl)(2-hydroxy-4-methoxy-6-methylphenyl)methanone #Methanone, (2,4-dihydroxy-6-methylphenyl)(2-hydroxy-4-methoxy-6-methylphenyl)-
Database identifiers
- CAS
21147-34-2- PubChem CID
- 592137
- DTXSID
DTXSID30343775- Nikkaji
- J108.142J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 372
Chemistry & industry
Preparation methods
Preparationpreparation by hydrogenolysis of 2,2′,4′-tris-(benzyloxy)-4-methoxy-6,6′-dimethylbenzophenone (SM) in the presence of 10% Pd/C in ethyl acetate containing concentrated hydrochloric acid (5 drops). SM was obtained by FriedelCrafts acylation of 3,5-bis(benzyloxy)toluene with 2-(benzyloxy) -4- methoxy-6-methylbenzoic acid in the presence of trifluoroacetic anhydride in refluxing ethylene dichloride for 5.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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