Basic information
- Standard SMILES
COCc1c(C(=O)O)ncc2[nH]c3cccc(Oc4ccccc4)c3c12- InChIKey
TVSKYJRBXUZJCU-UHFFFAOYSA-N- Molecular formula
- C20H16N2O4
- Average molar mass
- 348.4 g/mol
Names & identifiers
- Preferred name
- 5-Phenoxy-4-methoxymethyl-beta-carboline-3-carboxylic acid
- IUPAC
- 4-(methoxymethyl)-5-phenoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid
Names & synonyms
SCHEMBL9536668TVSKYJRBXUZJCU-UHFFFAOYSA-N5-phenoxy-4-methoxymethyl-beta-carboline-3-carboxylic acid
Database identifiers
- PubChem CID
- 23039441
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 496
Related reactions
4 records
Compound notes
Loading…