1-(4-bromophenyl)-2,4-dimethylbenzene

C14H13Br — CID 83659015

IUPAC1-(4-bromophenyl)-2,4-dimethylbenzene
SMILESCc1ccc(-c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C14H13Br/c1-10-3-8-14(11(2)9-10)12-4-6-13(15)7-5-12/h3-9H,1-2H3
InChIKeyWLFTZZFOZITJQH-UHFFFAOYSA-N
MW261.16 g/mol
LogP4.73
Rot. Bonds1

About 1-(4-bromophenyl)-2,4-dimethylbenzene

1-(4-bromophenyl)-2,4-dimethylbenzene (PubChem CID 83659015) has the molecular formula C14H13Br and a molecular weight of 261.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,4-dimethylbenzene
PubChem CID83659015
Molecular FormulaC14H13Br
Molecular Weight261.16 g/mol
Exact Mass260.02
IUPAC Name1-(4-bromophenyl)-2,4-dimethylbenzene
SMILESCc1ccc(-c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C14H13Br/c1-10-3-8-14(11(2)9-10)12-4-6-13(15)7-5-12/h3-9H,1-2H3
InChIKeyWLFTZZFOZITJQH-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(4-bromophenyl)-2,4-dimethylbenzene 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)-2,4-dimethylbenzene?
The IUPAC name of 1-(4-bromophenyl)-2,4-dimethylbenzene (CID 83659015) is 1-(4-bromophenyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(4-bromophenyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-(4-bromophenyl)-2,4-dimethylbenzene is Cc1ccc(-c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of 1-(4-bromophenyl)-2,4-dimethylbenzene?
The InChIKey is WLFTZZFOZITJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br/c1-10-3-8-14(11(2)9-10)12-4-6-13(15)7-5-12/h3-9H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2,4-dimethylbenzene?
1-(4-bromophenyl)-2,4-dimethylbenzene has a molecular weight of 261.16 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,4-dimethylbenzene is sourced from PubChem (CID 83659015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).