1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene

C14H12Br2 — CID 14113190

IUPAC1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
SMILESCc1cccc(Br)c1-c1c(C)cccc1Br
InChIInChI=1S/C14H12Br2/c1-9-5-3-7-11(15)13(9)14-10(2)6-4-8-12(14)16/h3-8H,1-2H3
InChIKeyKJPBHWPECBAAAA-UHFFFAOYSA-N
MW340.06 g/mol
LogP5.50
Rot. Bonds1

About 1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene

1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene (PubChem CID 14113190) has the molecular formula C14H12Br2 and a molecular weight of 340.06 g/mol. Its IUPAC name is 1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene.

Molecular Properties

Compound Name1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
PubChem CID14113190
Molecular FormulaC14H12Br2
Molecular Weight340.06 g/mol
Exact Mass337.93
IUPAC Name1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
SMILESCc1cccc(Br)c1-c1c(C)cccc1Br
InChIInChI=1S/C14H12Br2/c1-9-5-3-7-11(15)13(9)14-10(2)6-4-8-12(14)16/h3-8H,1-2H3
InChIKeyKJPBHWPECBAAAA-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.06
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-bromo-6-methylphenyl)furan
CID 168524558
1-bromo-2-(3,5-ditert-butylphenyl)-3-methylbenzene
CID 170160671
4-bromo-4'-methyl-9,9'-spirobi[fluorene]
CID 123165749
2-(2-amino-6-bromophenyl)-3-bromoaniline
CID 14024662
1,5-dibromo-4,8-dimethylanthracene-9,10-dione
CID 158328255
1-bromo-8-methylnaphthalene
CID 4250949
2-amino-2-(2-bromo-6-methylphenyl)ethanol
CID 130062182
2,3-dibromo-5-methylnaphthalene-1,4-dione
CID 11759292
1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene
CID 176589323
5-(2-bromo-6-methylphenyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499401
4-bromo-2-(2-methylphenyl)isoindole-1,3-dione
CID 169336941
2-bromo-6-chloroaniline;2-chloro-6-methylaniline
CID 164960891

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene?
The IUPAC name of 1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene (CID 14113190) is 1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene.
What is the SMILES notation for 1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene?
The canonical SMILES for 1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene is Cc1cccc(Br)c1-c1c(C)cccc1Br.
What is the InChIKey of 1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene?
The InChIKey is KJPBHWPECBAAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2/c1-9-5-3-7-11(15)13(9)14-10(2)6-4-8-12(14)16/h3-8H,1-2H3.
What are the key properties of 1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene?
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene has a molecular weight of 340.06 g/mol, XLogP of 5.50, 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-bromo-6-methylphenyl)-3-methylbenzene is sourced from PubChem (CID 14113190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).