1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene

C18H19Br — CID 155775564

IUPAC1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene
SMILESCC1(C)CC(C)(c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C18H19Br/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)16-7-5-4-6-15(16)17/h4-11H,12H2,1-3H3
InChIKeyNDLFFVDRWLTBJE-UHFFFAOYSA-N
MW315.25 g/mol
LogP5.44
Rot. Bonds1

About 1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene

1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene (PubChem CID 155775564) has the molecular formula C18H19Br and a molecular weight of 315.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene.

Molecular Properties

Compound Name1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene
PubChem CID155775564
Molecular FormulaC18H19Br
Molecular Weight315.25 g/mol
Exact Mass314.07
IUPAC Name1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene
SMILESCC1(C)CC(C)(c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C18H19Br/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)16-7-5-4-6-15(16)17/h4-11H,12H2,1-3H3
InChIKeyNDLFFVDRWLTBJE-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.25
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene 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 1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene?
The IUPAC name of 1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene (CID 155775564) is 1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene.
What is the SMILES notation for 1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene?
The canonical SMILES for 1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene is CC1(C)CC(C)(c2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene?
The InChIKey is NDLFFVDRWLTBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)16-7-5-4-6-15(16)17/h4-11H,12H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene?
1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene has a molecular weight of 315.25 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene is sourced from PubChem (CID 155775564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).