1-bromo-2-(2-bromo-4,5-dimethylphenyl)-4,5-dimethylbenzene

C16H16Br2 — CID 15855234

IUPAC1-bromo-2-(2-bromo-4,5-dimethylphenyl)-4,5-dimethylbenzene
SMILESCc1cc(Br)c(-c2cc(C)c(C)cc2Br)cc1C
InChIInChI=1S/C16H16Br2/c1-9-5-13(15(17)7-11(9)3)14-6-10(2)12(4)8-16(14)18/h5-8H,1-4H3
InChIKeyPIPDXSMIRHGCHX-UHFFFAOYSA-N
MW368.11 g/mol
LogP6.11
Rot. Bonds1

About 1-bromo-2-(2-bromo-4,5-dimethylphenyl)-4,5-dimethylbenzene

1-bromo-2-(2-bromo-4,5-dimethylphenyl)-4,5-dimethylbenzene (PubChem CID 15855234) has the molecular formula C16H16Br2 and a molecular weight of 368.11 g/mol. Its IUPAC name is 1-bromo-2-(2-bromo-4,5-dimethylphenyl)-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-2-(2-bromo-4,5-dimethylphenyl)-4,5-dimethylbenzene
PubChem CID15855234
Molecular FormulaC16H16Br2
Molecular Weight368.11 g/mol
Exact Mass365.96
IUPAC Name1-bromo-2-(2-bromo-4,5-dimethylphenyl)-4,5-dimethylbenzene
SMILESCc1cc(Br)c(-c2cc(C)c(C)cc2Br)cc1C
InChIInChI=1S/C16H16Br2/c1-9-5-13(15(17)7-11(9)3)14-6-10(2)12(4)8-16(14)18/h5-8H,1-4H3
InChIKeyPIPDXSMIRHGCHX-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.11
LogP ≤ 56.11
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-bromo-4,5-dimethylphenyl)-4,5-dimethylbenzene?
The IUPAC name of 1-bromo-2-(2-bromo-4,5-dimethylphenyl)-4,5-dimethylbenzene (CID 15855234) is 1-bromo-2-(2-bromo-4,5-dimethylphenyl)-4,5-dimethylbenzene.
What is the SMILES notation for 1-bromo-2-(2-bromo-4,5-dimethylphenyl)-4,5-dimethylbenzene?
The canonical SMILES for 1-bromo-2-(2-bromo-4,5-dimethylphenyl)-4,5-dimethylbenzene is Cc1cc(Br)c(-c2cc(C)c(C)cc2Br)cc1C.
What is the InChIKey of 1-bromo-2-(2-bromo-4,5-dimethylphenyl)-4,5-dimethylbenzene?
The InChIKey is PIPDXSMIRHGCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2/c1-9-5-13(15(17)7-11(9)3)14-6-10(2)12(4)8-16(14)18/h5-8H,1-4H3.
What are the key properties of 1-bromo-2-(2-bromo-4,5-dimethylphenyl)-4,5-dimethylbenzene?
1-bromo-2-(2-bromo-4,5-dimethylphenyl)-4,5-dimethylbenzene has a molecular weight of 368.11 g/mol, XLogP of 6.11, 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-4,5-dimethylphenyl)-4,5-dimethylbenzene is sourced from PubChem (CID 15855234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).