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

C10H13Br — CID 90213759

IUPAC1-bromo-2-ethyl-4,5-dimethylbenzene
SMILESCCc1cc(C)c(C)cc1Br
InChIInChI=1S/C10H13Br/c1-4-9-5-7(2)8(3)6-10(9)11/h5-6H,4H2,1-3H3
InChIKeyVHIXLLUBTIOSQI-UHFFFAOYSA-N
MW213.12 g/mol
LogP3.63
Rot. Bonds1

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

1-bromo-2-ethyl-4,5-dimethylbenzene (PubChem CID 90213759) has the molecular formula C10H13Br and a molecular weight of 213.12 g/mol. Its IUPAC name is 1-bromo-2-ethyl-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-2-ethyl-4,5-dimethylbenzene
PubChem CID90213759
Molecular FormulaC10H13Br
Molecular Weight213.12 g/mol
Exact Mass212.02
IUPAC Name1-bromo-2-ethyl-4,5-dimethylbenzene
SMILESCCc1cc(C)c(C)cc1Br
InChIInChI=1S/C10H13Br/c1-4-9-5-7(2)8(3)6-10(9)11/h5-6H,4H2,1-3H3
InChIKeyVHIXLLUBTIOSQI-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.12
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-ethyl-4,5-dimethylbenzene?
The IUPAC name of 1-bromo-2-ethyl-4,5-dimethylbenzene (CID 90213759) is 1-bromo-2-ethyl-4,5-dimethylbenzene.
What is the SMILES notation for 1-bromo-2-ethyl-4,5-dimethylbenzene?
The canonical SMILES for 1-bromo-2-ethyl-4,5-dimethylbenzene is CCc1cc(C)c(C)cc1Br.
What is the InChIKey of 1-bromo-2-ethyl-4,5-dimethylbenzene?
The InChIKey is VHIXLLUBTIOSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br/c1-4-9-5-7(2)8(3)6-10(9)11/h5-6H,4H2,1-3H3.
What are the key properties of 1-bromo-2-ethyl-4,5-dimethylbenzene?
1-bromo-2-ethyl-4,5-dimethylbenzene has a molecular weight of 213.12 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-ethyl-4,5-dimethylbenzene is sourced from PubChem (CID 90213759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).