[2-[(3,5-Dimethylphenoxy)methyl]-1-ethylindol-3-yl]methyl 3-chlorobenzoate
Basic information
- CAS
54186-32-2- Standard SMILES
CCn1c(COc2cc(C)cc(C)c2)c(COC(=O)c2cccc(Cl)c2)c2ccccc21- InChIKey
DNEZIJXWVBAHHZ-UHFFFAOYSA-N- Molecular formula
- C27H26ClNO3
- Average molar mass
- 448 g/mol
- Monoisotopic mass
- 447.1601214
Names & identifiers
- Preferred name
- [2-[(3,5-Dimethylphenoxy)methyl]-1-ethylindol-3-yl]methyl 3-chlorobenzoate
- IUPAC
- [2-[(3,5-dimethylphenoxy)methyl]-1-ethylindol-3-yl]methyl 3-chlorobenzoate
Names & synonyms
54186-32-2NSC234200[2-[(3,5-dimethylphenoxy)methyl]-1-ethylindol-3-yl]methyl 3-chlorobenzoateDTXSID90310908NSC-234200{2-[(3,5-Dimethylphenoxy)methyl]-1-ethyl-1H-indol-3-yl}methyl 3-chlorobenzoate
Database identifiers
- CAS
54186-32-2- PubChem CID
- 314715
- DTXSID
DTXSID90310908
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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