3-(3,4-Dimethoxybenzyl)-5,6-dimethoxy-1h-indole
Basic information
- CAS
6286-59-5- Standard SMILES
COc1ccc(Cc2c[nH]c3cc(OC)c(OC)cc23)cc1OC- InChIKey
NLARYFBIEUCCKH-UHFFFAOYSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14705815
Names & identifiers
- Preferred name
- 3-(3,4-Dimethoxybenzyl)-5,6-dimethoxy-1h-indole
- IUPAC
- 3-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-1H-indole
Names & synonyms
3-(3,4-dimethoxybenzyl)-5,6-dimethoxy-1h-indole6286-59-53-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-1H-indoleNSC10103DTXSID50278792NSC-10103
Database identifiers
- CAS
6286-59-5- PubChem CID
- 222985
- DTXSID
DTXSID50278792
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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