3-Benzoylindole
Basic information
- CAS
15224-25-6- Standard SMILES
O=C(c1ccccc1)c1c[nH]c2ccccc12- InChIKey
ADHQLIGSIQGNBW-UHFFFAOYSA-N- Molecular formula
- C15H11NO
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.08406397
Names & identifiers
- Preferred name
- 3-Benzoylindole
- IUPAC
- 1H-indol-3-yl(phenyl)methanone
- English name
- 3-benzoylindole
- Molecular formula
- C15H11NO
- Molecular weight
- 221.25394
Names & synonyms
3-Benzoylindole15224-25-6Indole, 3-benzoyl-Ketone, indol-3-yl phenylMethanone, 1H-indol-3-ylphenyl-UNII-PCO4O32860PCO4O32860EINECS 239-274-3NSC-81264NSC-149903DTXSID10164980NSC 81264
Show more names
1H-Indol-3-ylphenyl ketonePhenyl(1H-indole-3-yl) ketone
NSC 149903RefChem:93049DTXCID7087471239-274-3ADHQLIGSIQGNBW-UHFFFAOYSA-N1H-Indol-3-yl(phenyl)methanone(1H-Indol-3-yl)(phenyl)methanone3-benzoyl-1H-indole
Database identifiers
- CAS
15224-25-6- PubChem CID
- 84845
- DTXSID
DTXSID10164980- ChEMBL
CHEMBL1452995- UNII
- PCO4O32860
- EC Number
- 239-274-3
- Nikkaji
- J45.428A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Experimental & physicochemical properties
DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Solubility1.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 170 °C · 170 °C
- Boiling point
- 422.1 · 422.1±18.0 °C(Predicted)
- Density
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- pka
- 15.55 · 15.55±0.30(Predicted)
- FDA UNII
- 4 O32860 · PCO4O32860
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Related reactions
2 records
Compound notes
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