1-bromo-2,5-dimethyl-4-(4-methylphenyl)benzene

C15H15Br — CID 86068842

IUPAC1-bromo-2,5-dimethyl-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(C)c(Br)cc2C)cc1
InChIInChI=1S/C15H15Br/c1-10-4-6-13(7-5-10)14-8-12(3)15(16)9-11(14)2/h4-9H,1-3H3
InChIKeyZNHRDVFITHKJLQ-UHFFFAOYSA-N
MW275.19 g/mol
LogP5.04
Rot. Bonds1

About 1-bromo-2,5-dimethyl-4-(4-methylphenyl)benzene

1-bromo-2,5-dimethyl-4-(4-methylphenyl)benzene (PubChem CID 86068842) has the molecular formula C15H15Br and a molecular weight of 275.19 g/mol. Its IUPAC name is 1-bromo-2,5-dimethyl-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-2,5-dimethyl-4-(4-methylphenyl)benzene
PubChem CID86068842
Molecular FormulaC15H15Br
Molecular Weight275.19 g/mol
Exact Mass274.04
IUPAC Name1-bromo-2,5-dimethyl-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(C)c(Br)cc2C)cc1
InChIInChI=1S/C15H15Br/c1-10-4-6-13(7-5-10)14-8-12(3)15(16)9-11(14)2/h4-9H,1-3H3
InChIKeyZNHRDVFITHKJLQ-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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,5-dimethyl-4-(4-methylphenyl)benzene?
The IUPAC name of 1-bromo-2,5-dimethyl-4-(4-methylphenyl)benzene (CID 86068842) is 1-bromo-2,5-dimethyl-4-(4-methylphenyl)benzene.
What is the SMILES notation for 1-bromo-2,5-dimethyl-4-(4-methylphenyl)benzene?
The canonical SMILES for 1-bromo-2,5-dimethyl-4-(4-methylphenyl)benzene is Cc1ccc(-c2cc(C)c(Br)cc2C)cc1.
What is the InChIKey of 1-bromo-2,5-dimethyl-4-(4-methylphenyl)benzene?
The InChIKey is ZNHRDVFITHKJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br/c1-10-4-6-13(7-5-10)14-8-12(3)15(16)9-11(14)2/h4-9H,1-3H3.
What are the key properties of 1-bromo-2,5-dimethyl-4-(4-methylphenyl)benzene?
1-bromo-2,5-dimethyl-4-(4-methylphenyl)benzene 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-bromo-2,5-dimethyl-4-(4-methylphenyl)benzene is sourced from PubChem (CID 86068842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).