1-bromo-3-chloro-2-ethylbenzene

C8H8BrCl — CID 54267312

IUPAC1-bromo-3-chloro-2-ethylbenzene
SMILESCCc1c(Cl)cccc1Br
InChIInChI=1S/C8H8BrCl/c1-2-6-7(9)4-3-5-8(6)10/h3-5H,2H2,1H3
InChIKeyRHQXANFHLBLUCK-UHFFFAOYSA-N
MW219.51 g/mol
LogP3.66
Rot. Bonds1

About 1-bromo-3-chloro-2-ethylbenzene

1-bromo-3-chloro-2-ethylbenzene (PubChem CID 54267312) has the molecular formula C8H8BrCl and a molecular weight of 219.51 g/mol. Its IUPAC name is 1-bromo-3-chloro-2-ethylbenzene.

Molecular Properties

Compound Name1-bromo-3-chloro-2-ethylbenzene
PubChem CID54267312
Molecular FormulaC8H8BrCl
Molecular Weight219.51 g/mol
Exact Mass217.95
IUPAC Name1-bromo-3-chloro-2-ethylbenzene
SMILESCCc1c(Cl)cccc1Br
InChIInChI=1S/C8H8BrCl/c1-2-6-7(9)4-3-5-8(6)10/h3-5H,2H2,1H3
InChIKeyRHQXANFHLBLUCK-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.51
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-3-chloro-2-ethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine
CID 125116042
1-(bromomethyl)-3-chloro-2-ethylbenzene
CID 22641961
2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 28825797
2-(2-bromo-6-chlorophenyl)acetic acid
CID 53446365
(3-chloro-2-ethylphenyl)methanol
CID 118269686
1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine
CID 125115938
(3-chloro-2-ethylphenyl)hydrazine
CID 67877946
1-bromo-2-ethyl-3-(3-methylbutan-2-yl)benzene
CID 163799068
1-(3-chloro-2-ethylphenyl)ethanamine
CID 55282623
3-bromo-5-chloro-4-ethylpyridine
CID 148785357
1-bromo-2-(bromomethyl)-3-ethylbenzene;ethane
CID 123787449
1-bromo-3-chloro-2-(3-ethylphenyl)benzene
CID 52988182

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-2-ethylbenzene?
The IUPAC name of 1-bromo-3-chloro-2-ethylbenzene (CID 54267312) is 1-bromo-3-chloro-2-ethylbenzene.
What is the SMILES notation for 1-bromo-3-chloro-2-ethylbenzene?
The canonical SMILES for 1-bromo-3-chloro-2-ethylbenzene is CCc1c(Cl)cccc1Br.
What is the InChIKey of 1-bromo-3-chloro-2-ethylbenzene?
The InChIKey is RHQXANFHLBLUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrCl/c1-2-6-7(9)4-3-5-8(6)10/h3-5H,2H2,1H3.
What are the key properties of 1-bromo-3-chloro-2-ethylbenzene?
1-bromo-3-chloro-2-ethylbenzene has a molecular weight of 219.51 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-2-ethylbenzene is sourced from PubChem (CID 54267312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).