4-(2-bromoethyl)-1-chloro-2-methylbenzene

C9H10BrCl — CID 70098865

IUPAC4-(2-bromoethyl)-1-chloro-2-methylbenzene
SMILESCc1cc(CCBr)ccc1Cl
InChIInChI=1S/C9H10BrCl/c1-7-6-8(4-5-10)2-3-9(7)11/h2-3,6H,4-5H2,1H3
InChIKeyUEZXZKXHCMZGSQ-UHFFFAOYSA-N
MW233.54 g/mol
LogP3.59
Rot. Bonds2

About 4-(2-bromoethyl)-1-chloro-2-methylbenzene

4-(2-bromoethyl)-1-chloro-2-methylbenzene (PubChem CID 70098865) has the molecular formula C9H10BrCl and a molecular weight of 233.54 g/mol. Its IUPAC name is 4-(2-bromoethyl)-1-chloro-2-methylbenzene.

Molecular Properties

Compound Name4-(2-bromoethyl)-1-chloro-2-methylbenzene
PubChem CID70098865
Molecular FormulaC9H10BrCl
Molecular Weight233.54 g/mol
Exact Mass231.97
IUPAC Name4-(2-bromoethyl)-1-chloro-2-methylbenzene
SMILESCc1cc(CCBr)ccc1Cl
InChIInChI=1S/C9H10BrCl/c1-7-6-8(4-5-10)2-3-9(7)11/h2-3,6H,4-5H2,1H3
InChIKeyUEZXZKXHCMZGSQ-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.54
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-(2-chloroethyl)-2-methylbenzene
CID 95405218
1-chloro-4-ethyl-2-methylbenzene;ethane
CID 142121320
2-(4-chloro-3-methylphenyl)ethanamine;hydrochloride
CID 134085940
4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene
CID 165483204
1-bromo-4-(2-bromoethyl)-2-methylbenzene
CID 66480318
1-chloro-4-(chloromethyl)-2-methylbenzene
CID 524342
4-[3-bromo-2-(bromomethyl)propyl]-1-chloro-2-methylbenzene
CID 165483203
1-chloro-4-(fluoromethyl)-2-methylbenzene
CID 67488160
4-(4-chloro-3-methylphenyl)butan-2-amine
CID 130054284
4-(3-bromopropyl)-2-chloro-1-methylbenzene
CID 59407652
1-chloro-2-methyl-4-(3-methylpentyl)benzene
CID 91237561
1-(4-chloro-3-methylphenyl)heptan-4-one
CID 83937386

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)-1-chloro-2-methylbenzene?
The IUPAC name of 4-(2-bromoethyl)-1-chloro-2-methylbenzene (CID 70098865) is 4-(2-bromoethyl)-1-chloro-2-methylbenzene.
What is the SMILES notation for 4-(2-bromoethyl)-1-chloro-2-methylbenzene?
The canonical SMILES for 4-(2-bromoethyl)-1-chloro-2-methylbenzene is Cc1cc(CCBr)ccc1Cl.
What is the InChIKey of 4-(2-bromoethyl)-1-chloro-2-methylbenzene?
The InChIKey is UEZXZKXHCMZGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrCl/c1-7-6-8(4-5-10)2-3-9(7)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-(2-bromoethyl)-1-chloro-2-methylbenzene?
4-(2-bromoethyl)-1-chloro-2-methylbenzene has a molecular weight of 233.54 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-1-chloro-2-methylbenzene is sourced from PubChem (CID 70098865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).