Basic information
- CAS
50439-08-2- Standard SMILES
Cc1cc(C(=O)Cc2ccc(F)cc2)cc(C(=O)O)c1O- InChIKey
RWOCMBGJVOHSLJ-UHFFFAOYSA-N- Molecular formula
- C16H13FO4
- Average molar mass
- 288.27 g/mol
- Monoisotopic mass
- 288.07978705
Names & identifiers
- Preferred name
- Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl-
- IUPAC
- 5-[2-(4-fluorophenyl)acetyl]-2-hydroxy-3-methylbenzoic acid
- English name
- 5-[(4-Fluorophenyl)acetyl]-2-hydroxy-3-methylbenzoic acid
- Molecular formula
- C16H13FO4
- Molecular weight
- 288.27
Names & synonyms
50439-08-2F 1243BRN 2757744Acide (fluoro-4' phenacetyl)-5 orthocresotinique [French]DTXSID80198474Acide (fluoro-4' phenacetyl)-5 orthocresotinique2,3-CRESOTIC ACID, 5-((p-FLUOROPHENYL)ACETYL)-Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl-RefChem:327654DTXCID10120965Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl-(9CI)5-[(4-Fluorophenyl)acetyl]-2-hydroxy-3-methylbenzoic acid
Show more names
F-1243Benzoic acid, 5-[2-(4-fluorophenyl)acetyl]-2-hydroxy-3-methyl-
Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl- (9CI)DB-2634255-[(4-Fluorophenyl)acetyl ]-2-hydroxy-3-methylbenzoic acid
Database identifiers
- CAS
50439-08-2- PubChem CID
- 39669
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 512.7 · 512.7±50.0 °C(Predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- pka
- 2.61 · 2.61±0.14(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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