2-(2,5-dimethoxyphenyl)-4,7-dimethoxy-1H-indole
Basic information
- CAS
61547-10-2- Standard SMILES
COc1ccc(OC)c(-c2cc3c(OC)ccc(OC)c3[nH]2)c1- InChIKey
DCBQHNHGVQSKFN-UHFFFAOYSA-N- Molecular formula
- C18H19NO4
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.13140809
Names & identifiers
- Preferred name
- 2-(2,5-dimethoxyphenyl)-4,7-dimethoxy-1H-indole
- IUPAC
- 2-(2,5-dimethoxyphenyl)-4,7-dimethoxy-1H-indole
Names & synonyms
61547-10-22-(2,5-dimethoxyphenyl)-4,7-dimethoxy-1H-indoleNSC234024DTXSID40310897NSC-234024
Database identifiers
- CAS
61547-10-2- PubChem CID
- 314685
- DTXSID
DTXSID40310897
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 380
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Compound notes
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