1,4-dibromo-2-(4-methylphenyl)benzene

C13H10Br2 — CID 18458568

IUPAC1,4-dibromo-2-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C13H10Br2/c1-9-2-4-10(5-3-9)12-8-11(14)6-7-13(12)15/h2-8H,1H3
InChIKeyOFHDZEYCBJGZEF-UHFFFAOYSA-N
MW326.03 g/mol
LogP5.19
Rot. Bonds1

About 1,4-dibromo-2-(4-methylphenyl)benzene

1,4-dibromo-2-(4-methylphenyl)benzene (PubChem CID 18458568) has the molecular formula C13H10Br2 and a molecular weight of 326.03 g/mol. Its IUPAC name is 1,4-dibromo-2-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1,4-dibromo-2-(4-methylphenyl)benzene
PubChem CID18458568
Molecular FormulaC13H10Br2
Molecular Weight326.03 g/mol
Exact Mass323.91
IUPAC Name1,4-dibromo-2-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C13H10Br2/c1-9-2-4-10(5-3-9)12-8-11(14)6-7-13(12)15/h2-8H,1H3
InChIKeyOFHDZEYCBJGZEF-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.03
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-(4-methylphenyl)benzene?
The IUPAC name of 1,4-dibromo-2-(4-methylphenyl)benzene (CID 18458568) is 1,4-dibromo-2-(4-methylphenyl)benzene.
What is the SMILES notation for 1,4-dibromo-2-(4-methylphenyl)benzene?
The canonical SMILES for 1,4-dibromo-2-(4-methylphenyl)benzene is Cc1ccc(-c2cc(Br)ccc2Br)cc1.
What is the InChIKey of 1,4-dibromo-2-(4-methylphenyl)benzene?
The InChIKey is OFHDZEYCBJGZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2/c1-9-2-4-10(5-3-9)12-8-11(14)6-7-13(12)15/h2-8H,1H3.
What are the key properties of 1,4-dibromo-2-(4-methylphenyl)benzene?
1,4-dibromo-2-(4-methylphenyl)benzene has a molecular weight of 326.03 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-(4-methylphenyl)benzene is sourced from PubChem (CID 18458568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).