1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene

C14H12BrF — CID 164892527

IUPAC1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1-c1ccc(Br)cc1C
InChIInChI=1S/C14H12BrF/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,1-2H3
InChIKeyMAIWNNNUUJSGKB-UHFFFAOYSA-N
MW279.15 g/mol
LogP4.87
Rot. Bonds1

About 1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene

1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene (PubChem CID 164892527) has the molecular formula C14H12BrF and a molecular weight of 279.15 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene
PubChem CID164892527
Molecular FormulaC14H12BrF
Molecular Weight279.15 g/mol
Exact Mass278.01
IUPAC Name1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1-c1ccc(Br)cc1C
InChIInChI=1S/C14H12BrF/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,1-2H3
InChIKeyMAIWNNNUUJSGKB-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.15
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

4-bromo-1-(4-fluorophenyl)-2-methylbenzene
CID 67156128
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254
2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole
CID 64724742
1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene
CID 123210570
5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile
CID 175534790
3-bromo-4-(4-fluoro-2-methylphenyl)benzamide
CID 165449462
1-(4-bromo-2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 82778962
(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol
CID 61087729
4-bromo-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 29067383
1-[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66481802
5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine
CID 104728936
1-bromo-4-fluoro-2-methylbenzene;difluoromethane
CID 160708102

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene (CID 164892527) is 1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene is Cc1cc(F)ccc1-c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene?
The InChIKey is MAIWNNNUUJSGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene?
1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene has a molecular weight of 279.15 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene is sourced from PubChem (CID 164892527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).