Basic information
- CAS
67369-99-7- Standard SMILES
COc1ccc2c(c1)c(CC(=O)Oc1cccc(C)c1)c(C)n2C(=O)c1ccc(Cl)cc1- InChIKey
QDCVWPQCSLGGCA-UHFFFAOYSA-N- Molecular formula
- C26H22ClNO4
- Average molar mass
- 447.9 g/mol
- Monoisotopic mass
- 447.1237359
Names & identifiers
- Preferred name
- 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester
- IUPAC
- (3-methylphenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Names & synonyms
67369-99-71H-INDOLE-3-ACETIC ACID, 1-(p-CHLOROBENZOYL)-5-METHOXY-2-METHYL-, m-TOLYL ESTERm-Tolyl 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetateDTXSID10217723RefChem:239028DTXCID60140214IC-1SCHEMBL293536043-methylphenyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
Database identifiers
- CAS
67369-99-7- PubChem CID
- 49829
- DTXSID
DTXSID10217723
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 664
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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