3-(2-Methyl-2-nitropropyl)-7-(benzyloxy)indole

HCID 22014778
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(Cc1c[nH]c2c(OCc3ccccc3)cccc12)[N+](=O)[O-]
InChIKey
ALLCFRJSQOSTPO-UHFFFAOYSA-N
Molecular formula
C19H20N2O3
Average molar mass
324.4 g/mol

Names & identifiers

Preferred name
3-(2-Methyl-2-nitropropyl)-7-(benzyloxy)indole
IUPAC
3-(2-methyl-2-nitropropyl)-7-phenylmethoxy-1H-indole

Names & synonyms

SCHEMBL5646073ALLCFRJSQOSTPO-UHFFFAOYSA-N3-(2-methyl-2-nitropropyl)-7-(benzyloxy)indole

Database identifiers

PubChem CID
22014778

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
70.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
24

Related reactions

7 records
New reaction record

Compound notes

Loading…