Basic information
- Standard SMILES
COc1ccc2c(c1)c(C(=O)O)c(C)n2CCc1ccc(OC)c(OC)c1- InChIKey
GEYHBGKNYAKBSL-UHFFFAOYSA-N- Molecular formula
- C21H23NO5
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.15762283
Names & identifiers
- Preferred name
- 1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-methoxy-2-methylindole-3-carboxylic acid
- IUPAC
- 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindole-3-carboxylic acid
Names & synonyms
1-(3,4-dimethoxyphenethyl)-5-methoxy-2-methyl-1H-indole-3-carboxylic acid1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-5-methoxy-2-methyl-1H-indole-3-carboxylic acid1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1H-indole-3-carboxylic acidChemDiv3_004128Oprea1_327551MLS001206801SCHEMBL4356288CHEMBL1559318GEYHBGKNYAKBSL-UHFFFAOYSA-NHMS1484L14HMS2815M18STK744520
Show more names
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindole-3-carboxylic acidAKOS000676276SDCCGSBI-0661816.P001IDI1_022038NCGC00178878-01SMR000523497ST50279131AE-848/11487470
Database identifiers
- PubChem CID
- 1082708
- ChEMBL
CHEMBL1559318
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 501
Experimental & physicochemical properties
Solubility>55.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
3 records
Linked notes
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