4-(bromomethyl)-1-phenylindole

C15H12BrN — CID 150329569

IUPAC4-(bromomethyl)-1-phenylindole
SMILESBrCc1cccc2c1ccn2-c1ccccc1
InChIInChI=1S/C15H12BrN/c16-11-12-5-4-8-15-14(12)9-10-17(15)13-6-2-1-3-7-13/h1-10H,11H2
InChIKeyGPJGFOKTEORETQ-UHFFFAOYSA-N
MW286.17 g/mol
LogP4.53
Rot. Bonds2

About 4-(bromomethyl)-1-phenylindole

4-(bromomethyl)-1-phenylindole (PubChem CID 150329569) has the molecular formula C15H12BrN and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-(bromomethyl)-1-phenylindole.

Molecular Properties

Compound Name4-(bromomethyl)-1-phenylindole
PubChem CID150329569
Molecular FormulaC15H12BrN
Molecular Weight286.17 g/mol
Exact Mass285.02
IUPAC Name4-(bromomethyl)-1-phenylindole
SMILESBrCc1cccc2c1ccn2-c1ccccc1
InChIInChI=1S/C15H12BrN/c16-11-12-5-4-8-15-14(12)9-10-17(15)13-6-2-1-3-7-13/h1-10H,11H2
InChIKeyGPJGFOKTEORETQ-UHFFFAOYSA-N
XLogP4.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-phenylindole
CID 138964714
4-(bromomethyl)-1-(2-methylsulfanylpyrimidin-4-yl)indole
CID 69312027
4-(2-methylsulfonylphenyl)-1-phenylindole
CID 67640939
4,6-dimethyl-1-phenylindole;ethane
CID 156724635
N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 118601869
1-phenyl-3-(2-phenylpropyl)indole
CID 141220149
4-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 13044879
3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole
CID 90090906
4-fluoro-1-(4-fluorophenyl)indole
CID 91138606
N-(4-methoxyphenyl)-N-methyl-1-phenylindol-4-amine
CID 102574137
4-(3-methyl-2-nitrophenyl)-1-phenylindole
CID 135264974
N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline
CID 118315279

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-phenylindole?
The IUPAC name of 4-(bromomethyl)-1-phenylindole (CID 150329569) is 4-(bromomethyl)-1-phenylindole.
What is the SMILES notation for 4-(bromomethyl)-1-phenylindole?
The canonical SMILES for 4-(bromomethyl)-1-phenylindole is BrCc1cccc2c1ccn2-c1ccccc1.
What is the InChIKey of 4-(bromomethyl)-1-phenylindole?
The InChIKey is GPJGFOKTEORETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN/c16-11-12-5-4-8-15-14(12)9-10-17(15)13-6-2-1-3-7-13/h1-10H,11H2.
What are the key properties of 4-(bromomethyl)-1-phenylindole?
4-(bromomethyl)-1-phenylindole has a molecular weight of 286.17 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-phenylindole is sourced from PubChem (CID 150329569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).