Basic information
- CAS
106314-72-1- Standard SMILES
COc1ccc2c(c1)c(CC(=O)O)c(C)n2CC(=O)c1ccc(Cl)cc1- InChIKey
CDRVJEBSVVMFET-UHFFFAOYSA-N- Molecular formula
- C20H18ClNO4
- Average molar mass
- 371.8 g/mol
- Monoisotopic mass
- 371.0924357
Names & identifiers
- Preferred name
- 1H-Indole-3-acetic acid, 1-(2-(4-chlorophenyl)-2-oxoethyl)-5-methoxy-2-methyl-
- IUPAC
- 2-[1-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-2-methylindol-3-yl]acetic acid
Names & synonyms
BRN 5632676106314-72-11H-INDOLE-3-ACETIC ACID, 1-(2-(4-CHLOROPHENYL)-2-OXOETHYL)-5-METHOXY-2-METHYL-1-(4-Chlorophenacyl)-2-methyl-5-methoxyindol-3-ylacetic acidDTXSID501475701-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methoxy-2-methyl-1H-indole-3-acetic acidRefChem:239008DTXCID6070061SCHEMBL19880790{1-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-2-methyl-1h-indol-3-yl}acetic acid
Database identifiers
- CAS
106314-72-1- PubChem CID
- 60129
- DTXSID
DTXSID50147570
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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