1-(1H-Indol-3-yl)-2-phenylethanone
Basic information
- CAS
40281-54-7- Standard SMILES
O=C(Cc1ccccc1)c1c[nH]c2ccccc12- InChIKey
MVJGJYRFWKGPTI-UHFFFAOYSA-N- Molecular formula
- C16H13NO
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.09971404
Names & identifiers
- Preferred name
- 1-(1H-Indol-3-yl)-2-phenylethanone
- IUPAC
- 1-(1H-indol-3-yl)-2-phenylethanone
- English name
- 1-(1H-Indol-3-yl)-2-phenylethanone
- Molecular formula
- C16H13NO
- Molecular weight
- 235.28
Names & synonyms
40281-54-71-(1H-Indol-3-yl)-2-phenylethanoneDTXSID20295754RefChem:1053789DTXCID702468921-(1H-INDOL-3-YL)-2-PHENYL-ETHANONE1-(1H-indol-3-yl)-2-phenylethan-1-oneMFCD00540079Ethanone, 1-(3-indolyl)-2-phenyl-3-phenylacetylindole1-(1H-Indol-3-yl)-2-phenylethanone #Ethanone, 1-(1H-indole-3-yl)-2-phenyl-
Show more names
Ethanone, 1-(1H-indol-3-yl)-2-phenyl-
NSC105331Oprea1_676075SCHEMBL15902100SCHEMBL279841701-(3-Indolyl)-2-phenylethanoneQBA28154doi:10.14272/MVJGJYRFWKGPTNSC-105331
Database identifiers
- CAS
40281-54-7- PubChem CID
- 266609
- DTXSID
DTXSID20295754- Nikkaji
- J2.432.476A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 207 °C · 207 °C
- Boiling point
- 442.7 · 442.7±20.0 °C(Predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- pka
- 15.48 · 15.48±0.30(Predicted)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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