Basic information
- CAS
14933-29-0- Standard SMILES
O=c1[nH]c2ccccc2c(O)c1-c1ccccc1- InChIKey
WNISVGSZMGXKHE-UHFFFAOYSA-N- Molecular formula
- C15H11NO2
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.07897859
Names & identifiers
- Preferred name
- 3-Phenyl-2,4-quinolinediol
- IUPAC
- 4-hydroxy-3-phenyl-1H-quinolin-2-one
- English name
- 2,4-Dihydroxy-3-phenylquinoline
- Molecular formula
- C15H11NO2
- Molecular weight
- 237.25
Names & synonyms
14933-29-03-Phenyl-2,4-quinolinediol3-phenylquinoline-2,4-diol4-Hydroxy-3-phenyl-1H-quinolin-2-one3-phenyl-4-hydroxyquinolin-2(1H)-one98SFL4LU2U4-hydroxy-3-phenylquinolin-2(1H)-oneNSC16582NSC 16582UNII-98SFL4LU2UCHEMBL324519NSC-16582
Show more names
3-phenyl-quinoline-2,4-diol2,4-Dihydroxy-3-phenylquinoline2(1H)-Quinolinone, 4-hydroxy-3-phenyl-
Maybridge1_005460Oprea1_589873MLS000850648DivK1c_001748SCHEMBL625364SCHEMBL4455323HMS557A04DTXSID90164221
Database identifiers
- CAS
14933-29-0- PubChem CID
- 54677756
- DTXSID
DTXSID90164221- ChEMBL
CHEMBL324519- UNII
- 98SFL4LU2U
- Nikkaji
- J511.375J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 369
Experimental & physicochemical properties
LogP1.12
Solubility17.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 318 °C · 318 °C
- Boiling point
- 484.6 · 484.6±45.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
- FDA UNII
- 98 SFL4LU2U · 98SFL4LU2U
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
前羽生物科技(广州)有限公司15919630064 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…