1-(2,4-Dihydroxyphenyl)-2-(4-nitrophenyl)ethan-1-one
Basic information
- CAS
15485-63-9- Standard SMILES
O=C(Cc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1O- InChIKey
OGFAWKRXZLGJSK-UHFFFAOYSA-N- Molecular formula
- C14H11NO5
- Average molar mass
- 273.24 g/mol
- Monoisotopic mass
- 273.06372245
Names & identifiers
- Preferred name
- 1-(2,4-Dihydroxyphenyl)-2-(4-nitrophenyl)ethan-1-one
- IUPAC
- 1-(2,4-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone
- English name
- 1-(2,4-DIHYDROXY-PHENYL)-2-(4-NITRO-PHENYL)-ETHANONE
- Molecular formula
- C14H11NO5
- Molecular weight
- 273.24
Names & synonyms
15485-63-91-(2,4-dihydroxyphenyl)-2-(4-nitrophenyl)ethan-1-oneDTXSID60302557RefChem:1053832DTXCID602536911-(2,4-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone1-(2,4-Dihydroxy-phenyl)-2-(4-nitro-phenyl)-ethanone1-(2,4-dihydroxyphenyl)-2-{4-nitrophenyl}ethanoneMFCD00218593NSC151854Oprea1_039137Oprea1_821491
Show more names
Ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-nitrophenyl)-1-(2,4-Dihydroxy-phenyl)-2-(4-nitro-phenyl)-ethanone ,98%
MLS000777200CHEMBL244445HMS2768F24STK639309AKOS002380653NSC-151854SMR000413596DB-064058
Database identifiers
- CAS
15485-63-9- PubChem CID
- 289658
- DTXSID
DTXSID60302557- ChEMBL
CHEMBL244445- Nikkaji
- J270.622I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Experimental & physicochemical properties
Solubility>41 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 2210 °C · 2210°C
- Boiling point
- 523.6 · 523.6±19.0 °C(Predicted)
- Density
- 1.435 · 1.435±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.51 · 7.51±0.35(Predicted)
Chemistry & industry
Preparation methods
PreparationObtained by reaction of p-nitropheny-–lacetonitrile with resorcinol (Hoesch reaction).
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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