1-bromo-4-chloro-2,5-dimethylbenzene

C8H8BrCl — CID 18004187

IUPAC1-bromo-4-chloro-2,5-dimethylbenzene
SMILESCc1cc(Br)c(C)cc1Cl
InChIInChI=1S/C8H8BrCl/c1-5-4-8(10)6(2)3-7(5)9/h3-4H,1-2H3
InChIKeySJEYWTLIMGCRGJ-UHFFFAOYSA-N
MW219.51 g/mol
LogP3.72
Rot. Bonds

About 1-bromo-4-chloro-2,5-dimethylbenzene

1-bromo-4-chloro-2,5-dimethylbenzene (PubChem CID 18004187) has the molecular formula C8H8BrCl and a molecular weight of 219.51 g/mol. Its IUPAC name is 1-bromo-4-chloro-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-4-chloro-2,5-dimethylbenzene
PubChem CID18004187
Molecular FormulaC8H8BrCl
Molecular Weight219.51 g/mol
Exact Mass217.95
IUPAC Name1-bromo-4-chloro-2,5-dimethylbenzene
SMILESCc1cc(Br)c(C)cc1Cl
InChIInChI=1S/C8H8BrCl/c1-5-4-8(10)6(2)3-7(5)9/h3-4H,1-2H3
InChIKeySJEYWTLIMGCRGJ-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.51
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-2,5-dimethylbenzene?
The IUPAC name of 1-bromo-4-chloro-2,5-dimethylbenzene (CID 18004187) is 1-bromo-4-chloro-2,5-dimethylbenzene.
What is the SMILES notation for 1-bromo-4-chloro-2,5-dimethylbenzene?
The canonical SMILES for 1-bromo-4-chloro-2,5-dimethylbenzene is Cc1cc(Br)c(C)cc1Cl.
What is the InChIKey of 1-bromo-4-chloro-2,5-dimethylbenzene?
The InChIKey is SJEYWTLIMGCRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrCl/c1-5-4-8(10)6(2)3-7(5)9/h3-4H,1-2H3.
What are the key properties of 1-bromo-4-chloro-2,5-dimethylbenzene?
1-bromo-4-chloro-2,5-dimethylbenzene has a molecular weight of 219.51 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-chloro-2,5-dimethylbenzene is sourced from PubChem (CID 18004187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).