Basic information
- CAS
40444-43-7- Standard SMILES
Cc1ccc(C(=O)c2ccc(O)cc2O)cc1- InChIKey
FGCATPMSNCVLQK-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- 2,4-Dihydroxy-4'-methylbenzophenone
- IUPAC
- (2,4-dihydroxyphenyl)-(4-methylphenyl)methanone
- English name
- 2,4-dihydroxy-4'-methylbenzophenone
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
2,4-Dihydroxy-4'-methylbenzophenoneJC48RFF9DE(2,4-dihydroxyphenyl)(4-methylphenyl)methanoneEINECS 254-920-4DTXSID00193461Methanone, (2,4-dihydroxyphenyl)(4-methylphenyl)-RefChem:82441DTXCID10115952254-920-440444-43-7UNII-JC48RFF9DE(2,4-Dihydroxyphenyl)(p-tolyl)methanone
Show more names
2,4-Dihydroxyphenyl(4-methylphenyl) ketone
(2,4-dihydroxyphenyl)-(4-methylphenyl)methanone2,4-Dihydroxy-4//'-methylbenzophenoneOprea1_697119SCHEMBL1101897SCHEMBL30375015FGCATPMSNCVLQK-UHFFFAOYSA-NSTK925822AKOS005170869
Database identifiers
- CAS
40444-43-7- PubChem CID
- 520995
- DTXSID
DTXSID00193461- UNII
- JC48RFF9DE
- EC Number
- 254-920-4
- Nikkaji
- J332.421D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 139 °C · 139°C
- Boiling point
- 437.7 · 437.7±14.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- pka
- 7.52 · 7.52±0.35(Predicted)
- FDA UNII
- 48 RFF9DE · JC48RFF9DE
Chemistry & industry
Preparation methods
Preparationpreparation by reaction of p-toluic acid (4-methyl-benzoic acid) with resorcinol,in the presence of zinc chloride for 20 min at 165° (25%) (Nencki reaction) ;in the presence of Zeolite-H-beta in refluxing 4-chlorotoluene (162°) for 1618 h (70%) ;in the presence of boron trifluoride in tetrachloroethane on a steam bath for 4 h.
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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