2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole

C21H16BrNO — CID 71497904

IUPAC2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole
SMILESCOc1cccc(-c2c(-c3ccccc3Br)[nH]c3ccccc23)c1
InChIInChI=1S/C21H16BrNO/c1-24-15-8-6-7-14(13-15)20-17-10-3-5-12-19(17)23-21(20)16-9-2-4-11-18(16)22/h2-13,23H,1H3
InChIKeyWYGHZUHPBNOQLT-UHFFFAOYSA-N
MW378.27 g/mol
LogP6.27
Rot. Bonds3

About 2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole

2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole (PubChem CID 71497904) has the molecular formula C21H16BrNO and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole
PubChem CID71497904
Molecular FormulaC21H16BrNO
Molecular Weight378.27 g/mol
Exact Mass377.04
IUPAC Name2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole
SMILESCOc1cccc(-c2c(-c3ccccc3Br)[nH]c3ccccc23)c1
InChIInChI=1S/C21H16BrNO/c1-24-15-8-6-7-14(13-15)20-17-10-3-5-12-19(17)23-21(20)16-9-2-4-11-18(16)22/h2-13,23H,1H3
InChIKeyWYGHZUHPBNOQLT-UHFFFAOYSA-N
XLogP6.27
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.27
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one
CID 142740491
2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
CID 57382188
6-methoxy-2-(3-methoxyphenyl)-3-methyl-1H-indole
CID 13408302
2-(2-bromophenyl)-5-methoxy-1H-indole
CID 131887178
tris[[2,6-bis(3-methoxyphenyl)phenyl]sulfanyl]bismuthane
CID 87490956
2,7-bis(3-methoxyphenyl)-9H-carbazole
CID 141312734
2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole
CID 67700027
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
CID 71517931
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
3,5-difluoro-4-(3-methoxyphenyl)aniline
CID 175669991

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole?
The IUPAC name of 2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole (CID 71497904) is 2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole.
What is the SMILES notation for 2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole?
The canonical SMILES for 2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole is COc1cccc(-c2c(-c3ccccc3Br)[nH]c3ccccc23)c1.
What is the InChIKey of 2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole?
The InChIKey is WYGHZUHPBNOQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrNO/c1-24-15-8-6-7-14(13-15)20-17-10-3-5-12-19(17)23-21(20)16-9-2-4-11-18(16)22/h2-13,23H,1H3.
What are the key properties of 2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole?
2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole has a molecular weight of 378.27 g/mol, XLogP of 6.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole is sourced from PubChem (CID 71497904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).