Basic information
- CAS
1026-21-7- Standard SMILES
Cc1ccc(C(=O)c2cc3ccccc3[nH]2)cc1- InChIKey
ABJJWHBJUVWQEX-UHFFFAOYSA-N- Molecular formula
- C16H13NO
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.09971404
Names & identifiers
- Preferred name
- 1H-indol-2-yl-(4-methylphenyl)methanone
- IUPAC
- 1H-indol-2-yl-(4-methylphenyl)methanone
- English name
- 1H-Indol-2-yl(p-tolyl) ketone
- Molecular formula
- C16H13NO
- Molecular weight
- 235.28
Names & synonyms
2-p-Toluoylindole1H-Indol-2-yl(p-tolyl) ketone1H-indol-2-yl-(4-methylphenyl)methanone1026-21-7SCHEMBL5716749ABJJWHBJUVWQEX-UHFFFAOYSA-NDTXSID9013477992-(4-METHYLBENZOYL)INDOLE1H-Indol-2-yl(4-methylphenyl)methanone #Methanone, 1H-indol-2-yl(4-methylphenyl)-Q633915662-(4-Methylbenzoyl)-1H-indole
Database identifiers
- CAS
1026-21-7- PubChem CID
- 616628
- DTXSID
DTXSID901347799- Nikkaji
- J182.488K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Melting point
- 185 · 185-186 °C
- Boiling point
- 450.2 · 450.2±20.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- pka
- 14.81 · 14.81±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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