1-bromo-2-(2-bromophenyl)-3-methylbenzene

C13H10Br2 — CID 67154260

IUPAC1-bromo-2-(2-bromophenyl)-3-methylbenzene
SMILESCc1cccc(Br)c1-c1ccccc1Br
InChIInChI=1S/C13H10Br2/c1-9-5-4-8-12(15)13(9)10-6-2-3-7-11(10)14/h2-8H,1H3
InChIKeyZPGACKNCOQIVFT-UHFFFAOYSA-N
MW326.03 g/mol
LogP5.19
Rot. Bonds1

About 1-bromo-2-(2-bromophenyl)-3-methylbenzene

1-bromo-2-(2-bromophenyl)-3-methylbenzene (PubChem CID 67154260) has the molecular formula C13H10Br2 and a molecular weight of 326.03 g/mol. Its IUPAC name is 1-bromo-2-(2-bromophenyl)-3-methylbenzene.

Molecular Properties

Compound Name1-bromo-2-(2-bromophenyl)-3-methylbenzene
PubChem CID67154260
Molecular FormulaC13H10Br2
Molecular Weight326.03 g/mol
Exact Mass323.91
IUPAC Name1-bromo-2-(2-bromophenyl)-3-methylbenzene
SMILESCc1cccc(Br)c1-c1ccccc1Br
InChIInChI=1S/C13H10Br2/c1-9-5-4-8-12(15)13(9)10-6-2-3-7-11(10)14/h2-8H,1H3
InChIKeyZPGACKNCOQIVFT-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-bromo-2-(2-bromophenyl)-3-methylbenzene?
The IUPAC name of 1-bromo-2-(2-bromophenyl)-3-methylbenzene (CID 67154260) is 1-bromo-2-(2-bromophenyl)-3-methylbenzene.
What is the SMILES notation for 1-bromo-2-(2-bromophenyl)-3-methylbenzene?
The canonical SMILES for 1-bromo-2-(2-bromophenyl)-3-methylbenzene is Cc1cccc(Br)c1-c1ccccc1Br.
What is the InChIKey of 1-bromo-2-(2-bromophenyl)-3-methylbenzene?
The InChIKey is ZPGACKNCOQIVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2/c1-9-5-4-8-12(15)13(9)10-6-2-3-7-11(10)14/h2-8H,1H3.
What are the key properties of 1-bromo-2-(2-bromophenyl)-3-methylbenzene?
1-bromo-2-(2-bromophenyl)-3-methylbenzene 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-bromo-2-(2-bromophenyl)-3-methylbenzene is sourced from PubChem (CID 67154260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).