Basic information
- CAS
890-29-9- Standard SMILES
Cc1ccc(C(=O)c2c[nH]c3ccccc23)cc1- InChIKey
YHMFTSPEASEZMT-UHFFFAOYSA-N- Molecular formula
- C16H13NO
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.09971404
Names & identifiers
- Preferred name
- Methanone, 1H-indol-3-yl(4-methylphenyl)-
- IUPAC
- 1H-indol-3-yl-(4-methylphenyl)methanone
- English name
- (4-Methylphenyl)(1H-indole-3-yl) ketone
- Molecular formula
- C16H13NO
- Molecular weight
- 235.28
Names & synonyms
890-29-9Methanone, 1H-indol-3-yl(4-methylphenyl)-1H-indol-3-yl-(4-methylphenyl)methanone3-p-Toluoyl-indole(1H-Indol-3-yl)-p-tolyl-methanoneSCHEMBL2980233DTXSID10343339YHMFTSPEASEZMT-UHFFFAOYSA-N3-(4-METHYLBENZOYL)INDOLE(1H-Indol-3-yl)(4-methylphenyl)methanone1H-Indol-3-yl(4-methylphenyl)methanone #DB-289628
Show more names
3-(4-Methylbenzoyl)-1H-indole1H-Indol-3-yl(p-tolyl) ketone(4-Methylphenyl)(1H-indole-3-yl) ketone
Q63396216
Database identifiers
- CAS
890-29-9- PubChem CID
- 589136
- DTXSID
DTXSID10343339- Nikkaji
- J182.489I
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
- 179 · 179-181 °C
- Boiling point
- 450.2 · 450.2±20.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- pka
- 15.28 · 15.28±0.30(Predicted)
Chemistry & industry
Suppliers3 total
ASTATECH[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…