1-ethyl-5-methoxy-2-methyl-1H-benzo[g]indole-3-carboxylic acid
Basic information
- CAS
374544-14-6- Standard SMILES
CCn1c(C)c(C(=O)O)c2cc(OC)c3ccccc3c21- InChIKey
LSZIRBAWCJUNIP-UHFFFAOYSA-N- Molecular formula
- C17H17NO3
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.1208434
Names & identifiers
- Preferred name
- 1-ethyl-5-methoxy-2-methyl-1H-benzo[g]indole-3-carboxylic acid
- IUPAC
- 1-ethyl-5-methoxy-2-methylbenzo[g]indole-3-carboxylic acid
Names & synonyms
1-ethyl-5-methoxy-2-methyl-1H-benzo[g]indole-3-carboxylic acid374544-14-6CBMicro_0083521-ethyl-5-methoxy-2-methylbenzo[g]indole-3-carboxylic acidOprea1_373044MLS001173422CHEMBL1601696DTXSID701331156HMS2871G17SMSF0009399STK744814AKOS003685135
Show more names
CB11292SMR000538954BIM-0008564.P001AE-848/12505102SR-01000427930SR-01000427930-1
Database identifiers
- CAS
374544-14-6- PubChem CID
- 876975
- DTXSID
DTXSID701331156- ChEMBL
CHEMBL1601696
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 399
Experimental & physicochemical properties
Solubility16.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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