1-(4-Bromobenzyl)-5-methoxy-2-methylindole-3-acetic acid

HCID 10810285

Basic information

Standard SMILES
COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc1ccc(Br)cc1
InChIKey
VYGRRQURXQHVSD-UHFFFAOYSA-N
Molecular formula
C19H18BrNO3
Average molar mass
388.3 g/mol
Monoisotopic mass
387.04701

Names & identifiers

Preferred name
1-(4-Bromobenzyl)-5-methoxy-2-methylindole-3-acetic acid
IUPAC
2-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetic acid

Names & synonyms

CHEMBL320140Indomethacin derivative, 23SCHEMBL8607505BDBM22970VYGRRQURXQHVSD-UHFFFAOYSA-N1-(4-Bromobenzyl)-5-methoxy-2-methylindole-3-acetic acid2-{1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid

Database identifiers

PubChem CID
10810285
ChEMBL
CHEMBL320140

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
51.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
24

Related reactions

3 records

Linked notes

Loading…