1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene

C15H15Br — CID 123210570

IUPAC1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene
SMILESCc1cc(Br)ccc1-c1cccc(C)c1C
InChIInChI=1S/C15H15Br/c1-10-5-4-6-15(12(10)3)14-8-7-13(16)9-11(14)2/h4-9H,1-3H3
InChIKeyFDWFMAQMNYXERL-UHFFFAOYSA-N
MW275.19 g/mol
LogP5.04
Rot. Bonds1

About 1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene

1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene (PubChem CID 123210570) has the molecular formula C15H15Br and a molecular weight of 275.19 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene
PubChem CID123210570
Molecular FormulaC15H15Br
Molecular Weight275.19 g/mol
Exact Mass274.04
IUPAC Name1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene
SMILESCc1cc(Br)ccc1-c1cccc(C)c1C
InChIInChI=1S/C15H15Br/c1-10-5-4-6-15(12(10)3)14-8-7-13(16)9-11(14)2/h4-9H,1-3H3
InChIKeyFDWFMAQMNYXERL-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.19
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene 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

5-bromo-2-(2,3-dimethylphenyl)benzoic acid
CID 114032340
1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene
CID 164892527
4-bromo-2-chloro-1-(2-methylphenyl)benzene
CID 174455914
1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene
CID 164892523
2-(2,3-dimethylphenyl)-5-methylbenzenethiol
CID 122678033
1-[4-(2,3-dimethylphenyl)phenyl]-2,4-dimethylbenzene
CID 144502475
5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile
CID 175534790
methyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate
CID 67752029
4-bromo-1-(4-fluorophenyl)-2-methylbenzene
CID 67156128
1,2-dimethyl-3-[2-methyl-5-(2-methylphenyl)phenyl]benzene
CID 123207081
2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene
CID 162497500
1,2-dimethyl-3-(2-phenylphenyl)benzene
CID 54215466

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene (CID 123210570) is 1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene is Cc1cc(Br)ccc1-c1cccc(C)c1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene?
The InChIKey is FDWFMAQMNYXERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br/c1-10-5-4-6-15(12(10)3)14-8-7-13(16)9-11(14)2/h4-9H,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene?
1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene has a molecular weight of 275.19 g/mol, XLogP of 5.04, 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)-2,3-dimethylbenzene is sourced from PubChem (CID 123210570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).