Basic information
- CAS
138272-98-7- Standard SMILES
COc1ccc2c(c1)c(C)c(C)n2C(=O)c1ccccc1- InChIKey
ANCKMBHUDODKSF-UHFFFAOYSA-N- Molecular formula
- C18H17NO2
- Average molar mass
- 279.3 g/mol
- Monoisotopic mass
- 279.12592879
Names & identifiers
- Preferred name
- 1H-indole, 1-benzoyl-5-methoxy-2,3-dimethyl-
- IUPAC
- (5-methoxy-2,3-dimethylindol-1-yl)-phenylmethanone
Names & synonyms
1H-indole, 1-benzoyl-5-methoxy-2,3-dimethyl-138272-98-71-benzoyl-5-methoxy-2,3-dimethyl-1H-indoleDTXSID40348711RefChem:238694DTXCID30299783InChI=1/C18H17NO2/c1-12-13(2)19(18(20)14-7-5-4-6-8-14)17-10-9-15(21-3)11-16(12)17/h4-11H,1-3H(5-Methoxy-2,3-dimethyl-1H-indol-1-yl)(phenyl)methanone
Database identifiers
- CAS
138272-98-7- PubChem CID
- 640256
- DTXSID
DTXSID40348711
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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