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Basic information
- CAS
135333-94-7- Standard SMILES
COc1ccc2c(c1)c(C(C)=O)c(C)n2C- InChIKey
ZUMAKYZWDBDHIG-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- 1-(5-Methoxy-1,2-dimethyl-1H-indol-3-yl)ethanone
- IUPAC
- 1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
Names & synonyms
1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethanone135333-94-7RefChem:2257833-acetyl-5-methoxy-1,2-dimethylindole1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethan-1-oneCBMicro_0197451-(5-methoxy-1,2-dimethylindol-3-yl)ethanoneMLS000711295SCHEMBL9198378CHEMBL1606357ZUMAKYZWDBDHIG-UHFFFAOYSA-NDTXSID601239208
Show more names
HMS2758B15CCG-5155STK394312AKOS000673447SMR000281062BIM-0019684.P001EU-0005572ST50011814
Database identifiers
- CAS
135333-94-7- PubChem CID
- 744720
- DTXSID
DTXSID601239208- ChEMBL
CHEMBL1606357
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Experimental & physicochemical properties
Solubility>32.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
1 records
Compound notes
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