2-bromo-1,4-dimethylbenzene;ethane

C10H15Br — CID 142028009

IUPAC2-bromo-1,4-dimethylbenzene;ethane
SMILESCC.Cc1ccc(C)c(Br)c1
InChIInChI=1S/C8H9Br.C2H6/c1-6-3-4-7(2)8(9)5-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyZQEBXQXSFYWZRN-UHFFFAOYSA-N
MW215.13 g/mol
LogP4.09
Rot. Bonds

About 2-bromo-1,4-dimethylbenzene;ethane

2-bromo-1,4-dimethylbenzene;ethane (PubChem CID 142028009) has the molecular formula C10H15Br and a molecular weight of 215.13 g/mol. Its IUPAC name is 2-bromo-1,4-dimethylbenzene;ethane.

Molecular Properties

Compound Name2-bromo-1,4-dimethylbenzene;ethane
PubChem CID142028009
Molecular FormulaC10H15Br
Molecular Weight215.13 g/mol
Exact Mass214.04
IUPAC Name2-bromo-1,4-dimethylbenzene;ethane
SMILESCC.Cc1ccc(C)c(Br)c1
InChIInChI=1S/C8H9Br.C2H6/c1-6-3-4-7(2)8(9)5-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyZQEBXQXSFYWZRN-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-bromo-4-fluoro-1-methylbenzene;ethane;4-methylaniline
CID 142152830
N,3-dibromo-4-methyl-N-(4-methylphenyl)aniline
CID 118113905
2-bromo-4-methylbenzenethiol
CID 15077053
1,2,4-trimethylbenzene
CID 7247
ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895
2-bromo-5-methylaniline;ethane
CID 170980783
zinc;2-bromo-4-methylphenol;oxygen(2-)
CID 174743291
2-bromo-4-methylbenzoic acid;ethane
CID 143170535
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
ethane;ethene;methane;1,2,4-trimethylbenzene
CID 144526220
2,5-dimethylphenol;ethane
CID 143419778
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4-dimethylbenzene;ethane?
The IUPAC name of 2-bromo-1,4-dimethylbenzene;ethane (CID 142028009) is 2-bromo-1,4-dimethylbenzene;ethane.
What is the SMILES notation for 2-bromo-1,4-dimethylbenzene;ethane?
The canonical SMILES for 2-bromo-1,4-dimethylbenzene;ethane is CC.Cc1ccc(C)c(Br)c1.
What is the InChIKey of 2-bromo-1,4-dimethylbenzene;ethane?
The InChIKey is ZQEBXQXSFYWZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br.C2H6/c1-6-3-4-7(2)8(9)5-6;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 2-bromo-1,4-dimethylbenzene;ethane?
2-bromo-1,4-dimethylbenzene;ethane has a molecular weight of 215.13 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,4-dimethylbenzene;ethane is sourced from PubChem (CID 142028009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).