4-bromo-1,3-dimethyl-2-phenylindole

C16H14BrN — CID 68814415

IUPAC4-bromo-1,3-dimethyl-2-phenylindole
SMILESCc1c(-c2ccccc2)n(C)c2cccc(Br)c12
InChIInChI=1S/C16H14BrN/c1-11-15-13(17)9-6-10-14(15)18(2)16(11)12-7-4-3-5-8-12/h3-10H,1-2H3
InChIKeyKRFWDOJPMAMHLH-UHFFFAOYSA-N
MW300.20 g/mol
LogP4.92
Rot. Bonds1

About 4-bromo-1,3-dimethyl-2-phenylindole

4-bromo-1,3-dimethyl-2-phenylindole (PubChem CID 68814415) has the molecular formula C16H14BrN and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-bromo-1,3-dimethyl-2-phenylindole.

Molecular Properties

Compound Name4-bromo-1,3-dimethyl-2-phenylindole
PubChem CID68814415
Molecular FormulaC16H14BrN
Molecular Weight300.20 g/mol
Exact Mass299.03
IUPAC Name4-bromo-1,3-dimethyl-2-phenylindole
SMILESCc1c(-c2ccccc2)n(C)c2cccc(Br)c12
InChIInChI=1S/C16H14BrN/c1-11-15-13(17)9-6-10-14(15)18(2)16(11)12-7-4-3-5-8-12/h3-10H,1-2H3
InChIKeyKRFWDOJPMAMHLH-UHFFFAOYSA-N
XLogP4.92
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-dimethyl-2-phenylindole?
The IUPAC name of 4-bromo-1,3-dimethyl-2-phenylindole (CID 68814415) is 4-bromo-1,3-dimethyl-2-phenylindole.
What is the SMILES notation for 4-bromo-1,3-dimethyl-2-phenylindole?
The canonical SMILES for 4-bromo-1,3-dimethyl-2-phenylindole is Cc1c(-c2ccccc2)n(C)c2cccc(Br)c12.
What is the InChIKey of 4-bromo-1,3-dimethyl-2-phenylindole?
The InChIKey is KRFWDOJPMAMHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN/c1-11-15-13(17)9-6-10-14(15)18(2)16(11)12-7-4-3-5-8-12/h3-10H,1-2H3.
What are the key properties of 4-bromo-1,3-dimethyl-2-phenylindole?
4-bromo-1,3-dimethyl-2-phenylindole has a molecular weight of 300.20 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-dimethyl-2-phenylindole is sourced from PubChem (CID 68814415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).