Basic information
- CAS
5034-76-4- Standard SMILES
COc1ccc(-c2[nH]c3ccccc3c2-c2ccc(OC)cc2)cc1- InChIKey
SRETXDDCKMOQNE-UHFFFAOYSA-N- Molecular formula
- C22H19NO2
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.14157885
Overview
Indoxole is a small molecule drug. Indoxole has a monoisotopic molecular weight of 329.14 Da.
Names & identifiers
- Preferred name
- Indoxole
- IUPAC
- 2,3-bis(4-methoxyphenyl)-1H-indole
- English name
- Indoxole
- Molecular formula
- C22H19NO2
- Molecular weight
- 329.39
Names & synonyms
INDOXOLE2,3-Bis(4-methoxyphenyl)-1H-indole5034-76-42,3-Bis(p-methoxyphenyl)indoleU-22020Q0CKS2CL3GNSC-829592,3-bis(4-methoxyphenyl)indoleDTXSID70198382RefChem:148245DTXCID00120873Indoxol
Show more names
1H-Indole, 2,3-bis(4-methoxyphenyl)-Indole, 2,3-bis(p-methoxyphenyl)-Indoxole (USAN)NSC82959IndoxolumINDOXOLE [USAN]IndossoloIndossolo [DCIT]
Database identifiers
- CAS
5034-76-4- PubChem CID
- 21129
- DTXSID
DTXSID70198382- ChEMBL
CHEMBL2104332- UNII
- Q0CKS2CL3G
- Nikkaji
- J8.799H
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 34.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 412
Physicochemical properties
- Melting point
- 151 · 151-152 °C
- Boiling point
- 510.5 · 510.5±50.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- pka
- 16.81 · 16.81±0.30(Predicted)
- FDA UNII
- 0 CKS2CL3G · Q0CKS2CL3G
Chemistry & industry
Applications
UsesAntipyretic; anti-inflammatory.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…