ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
Basic information
- CAS
40963-98-2- Standard SMILES
CCOC(=O)c1c(C)n(C)c2ccc(OC)cc12- InChIKey
VWUZPMIHHYWEQB-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
- IUPAC
- ethyl 5-methoxy-1,2-dimethylindole-3-carboxylate
- English name
- ethyl 5-methoxy-1,2-dimethylindole-3-carboxylate
- Molecular formula
- C14H17NO3
- Molecular weight
- 247.29
Names & synonyms
ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate40963-98-2DTXSID50350608RefChem:344383DTXCID50301675ethyl 5-methoxy-1,2-dimethylindole-3-carboxylateethyl 5-methoxy-1,2-dimethyl-indole-3-carboxylateSCHEMBL9557007SCHEMBL30875172VWUZPMIHHYWEQB-UHFFFAOYSA-NHMS5089P151H-Indole-3-carboxylic acid, 5-methoxy-1,2-dimethyl-, ethyl ester
Show more names
BBL009216MFCD00434577STK285666AKOS001721379VS-020281,2-dimethyl-3-carbethoxy-5-methoxyindoleST4016119CS-0117788
Database identifiers
- CAS
40963-98-2- PubChem CID
- 684086
- DTXSID
DTXSID50350608
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Melting point
- 119 · 119-121 °C
- Boiling point
- 379.8 · 379.8±37.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
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Compound notes
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