1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene

C17H18Br2 — CID 155667841

IUPAC1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene
SMILESCc1cc(Br)c(Cc2cc(C)c(C)cc2Br)cc1C
InChIInChI=1S/C17H18Br2/c1-10-5-14(16(18)7-12(10)3)9-15-6-11(2)13(4)8-17(15)19/h5-8H,9H2,1-4H3
InChIKeyOUWNFIREZRBLBL-UHFFFAOYSA-N
MW382.14 g/mol
LogP6.04
Rot. Bonds2

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

1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene (PubChem CID 155667841) has the molecular formula C17H18Br2 and a molecular weight of 382.14 g/mol. Its IUPAC name is 1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene
PubChem CID155667841
Molecular FormulaC17H18Br2
Molecular Weight382.14 g/mol
Exact Mass379.98
IUPAC Name1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene
SMILESCc1cc(Br)c(Cc2cc(C)c(C)cc2Br)cc1C
InChIInChI=1S/C17H18Br2/c1-10-5-14(16(18)7-12(10)3)9-15-6-11(2)13(4)8-17(15)19/h5-8H,9H2,1-4H3
InChIKeyOUWNFIREZRBLBL-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.14
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene?
The IUPAC name of 1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene (CID 155667841) is 1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene.
What is the SMILES notation for 1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene?
The canonical SMILES for 1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene is Cc1cc(Br)c(Cc2cc(C)c(C)cc2Br)cc1C.
What is the InChIKey of 1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene?
The InChIKey is OUWNFIREZRBLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2/c1-10-5-14(16(18)7-12(10)3)9-15-6-11(2)13(4)8-17(15)19/h5-8H,9H2,1-4H3.
What are the key properties of 1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene?
1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene has a molecular weight of 382.14 g/mol, XLogP of 6.04, 2 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)methyl]-4,5-dimethylbenzene is sourced from PubChem (CID 155667841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).