3-bromo-1-methyl-2-phenylindole

C15H12BrN — CID 43140138

IUPAC3-bromo-1-methyl-2-phenylindole
SMILESCn1c(-c2ccccc2)c(Br)c2ccccc21
InChIInChI=1S/C15H12BrN/c1-17-13-10-6-5-9-12(13)14(16)15(17)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeySOYJVFMQOKCVQX-UHFFFAOYSA-N
MW286.17 g/mol
LogP4.61
Rot. Bonds1

About 3-bromo-1-methyl-2-phenylindole

3-bromo-1-methyl-2-phenylindole (PubChem CID 43140138) has the molecular formula C15H12BrN and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-bromo-1-methyl-2-phenylindole.

Molecular Properties

Compound Name3-bromo-1-methyl-2-phenylindole
PubChem CID43140138
Molecular FormulaC15H12BrN
Molecular Weight286.17 g/mol
Exact Mass285.02
IUPAC Name3-bromo-1-methyl-2-phenylindole
SMILESCn1c(-c2ccccc2)c(Br)c2ccccc21
InChIInChI=1S/C15H12BrN/c1-17-13-10-6-5-9-12(13)14(16)15(17)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeySOYJVFMQOKCVQX-UHFFFAOYSA-N
XLogP4.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-1-methyl-2-phenylindole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-2-phenylindole?
The IUPAC name of 3-bromo-1-methyl-2-phenylindole (CID 43140138) is 3-bromo-1-methyl-2-phenylindole.
What is the SMILES notation for 3-bromo-1-methyl-2-phenylindole?
The canonical SMILES for 3-bromo-1-methyl-2-phenylindole is Cn1c(-c2ccccc2)c(Br)c2ccccc21.
What is the InChIKey of 3-bromo-1-methyl-2-phenylindole?
The InChIKey is SOYJVFMQOKCVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN/c1-17-13-10-6-5-9-12(13)14(16)15(17)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 3-bromo-1-methyl-2-phenylindole?
3-bromo-1-methyl-2-phenylindole has a molecular weight of 286.17 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-2-phenylindole is sourced from PubChem (CID 43140138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).