Basic information
- CAS
53924-22-4- Standard SMILES
COc1cc(C(c2ccccc2)c2cn(CC(=O)O)c3ccccc23)cc(OC)c1OC- InChIKey
JOHJZEAIAWYLRX-UHFFFAOYSA-N- Molecular formula
- C26H25NO5
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.1732729
Names & identifiers
- Preferred name
- 1H-Indole-1-acetic acid, 3-(phenyl(3,4,5-trimethoxyphenyl)methyl)-
- IUPAC
- 2-[3-[phenyl-(3,4,5-trimethoxyphenyl)methyl]indol-1-yl]acetic acid
Names & synonyms
BRN 04594553-(Phenyl(3,4,5-trimethoxyphenyl)methyl)-1H-indole-1-acetic acid53924-22-41H-INDOLE-1-ACETIC ACID, 3-(PHENYL(3,4,5-TRIMETHOXYPHENYL)METHYL)-RefChem:238872DTXSID80968715{3-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1H-indol-1-yl}acetic acid
Database identifiers
- CAS
53924-22-4- PubChem CID
- 40938
- DTXSID
DTXSID80968715
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…