Basic information
- CAS
36233-19-9- Standard SMILES
COc1ccc2c(C(=O)c3ccc(Cl)cc3)c(C)n(CC(=O)OCC(O)CO)c2c1- InChIKey
ABRLCTQFNJRQJL-UHFFFAOYSA-N- Molecular formula
- C22H22ClNO6
- Average molar mass
- 431.9 g/mol
- Monoisotopic mass
- 431.1135651
Names & identifiers
- Preferred name
- 2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate
- IUPAC
- 2,3-dihydroxypropyl 2-[3-(4-chlorobenzoyl)-6-methoxy-2-methylindol-1-yl]acetate
Names & synonyms
36233-19-9RefChem:10594372,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetateRU 15113BRN 1556142IH-Indole-1-acetic acid, 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-, 2,3-dihydroxypropyl esterDTXSID409576202,3-Dihydroxypropyl [3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indol-1-yl]acetate
Database identifiers
- CAS
36233-19-9- PubChem CID
- 215780
- DTXSID
DTXSID40957620
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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