Basic information
- CAS
22051-15-6- Standard SMILES
COc1ccc(C(=O)c2c[nH]c3ccccc23)cc1- InChIKey
KLNHIIYKFBCQQB-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Overview
1H-indol-3-yl-(4-methoxyphenyl)methanone is a N-acylindole.
Names & identifiers
- Preferred name
- Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
- IUPAC
- 1H-indol-3-yl-(4-methoxyphenyl)methanone
- English name
- 3-Anisoyl-indole
- Molecular formula
- C16H13NO2
- Molecular weight
- 251.28
Names & synonyms
3-(p-Methoxybenzoyl)indole1H-Indol-3-yl(4-methoxyphenyl)methanoneMethanone, 1H-indol-3-yl(4-methoxyphenyl)-DTXSID10176528Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)RefChem:350467DTXCID609901922051-15-63-(4-Anisoyl)-indole1H-indol-3-yl-(4-methoxyphenyl)methanone3-(4-METHOXYBENZOYL)-1H-INDOLE(1H-Indol-3-yl)(4-methoxyphenyl)methanone
Show more names
1h-indol-3-yl(4-methoxyphenyl)-methanon
MLS000104471Indol-3-yl p-Methoxyphenyl Ketone; Indol-3-yl p-Methoxyphenyl Ketone; 1H-Indol-3-yl(4-methoxyphenyl)methanone3-ANISOYL-INDOLEMethanone,1H-indol-3-yl(4-methoxyphenyl)-Cambridge id 5106601Oprea1_377330Oprea1_390244CBDivE_002272
Database identifiers
- CAS
22051-15-6- PubChem CID
- 211017
- DTXSID
DTXSID10176528- ChEMBL
CHEMBL1429722- ChEBI
CHEBI:119826
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Experimental & physicochemical properties
DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Physicochemical properties
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- color
- Yellow to Orange
- 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
Chemistry & industry
Applications
Uses3-(p-Methoxybenzoyl)indole is an intermediate in the synthesis of JWH derivatives.
Suppliers6 total
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 1H-indol-3-yl-(4-methoxyphenyl)methanone is a N-acylindole.
Related reactions
12 records
Compound notes
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