4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene

C10H11BrCl2O — CID 89246462

IUPAC4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene
SMILESClc1ccc(CCOCCBr)cc1Cl
InChIInChI=1S/C10H11BrCl2O/c11-4-6-14-5-3-8-1-2-9(12)10(13)7-8/h1-2,7H,3-6H2
InChIKeyCFOCZSKDVGPDJW-UHFFFAOYSA-N
MW298.01 g/mol
LogP3.95
Rot. Bonds5

About 4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene

4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene (PubChem CID 89246462) has the molecular formula C10H11BrCl2O and a molecular weight of 298.01 g/mol. Its IUPAC name is 4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene
PubChem CID89246462
Molecular FormulaC10H11BrCl2O
Molecular Weight298.01 g/mol
Exact Mass295.94
IUPAC Name4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene
SMILESClc1ccc(CCOCCBr)cc1Cl
InChIInChI=1S/C10H11BrCl2O/c11-4-6-14-5-3-8-1-2-9(12)10(13)7-8/h1-2,7H,3-6H2
InChIKeyCFOCZSKDVGPDJW-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.01
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene
CID 71388387
N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine
CID 65302866
4-(bromomethyl)-1,2-dichlorobenzene;zinc
CID 67230004
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene
CID 174759962
O-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride
CID 163543876
2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352780
1,2-dichloro-4-(2-cyclopentylethyl)benzene
CID 67484216
4-(2-bromoethyl)-1-chloro-2-methylbenzene
CID 70098865
4-(bromomethyl)-1-[2-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168504956
1,2-dichloro-4-(3-chlorobutyl)benzene
CID 63461279
1,2-dichloro-4-(hydroperoxymethyl)benzene
CID 166873402

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene?
The IUPAC name of 4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene (CID 89246462) is 4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene.
What is the SMILES notation for 4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene?
The canonical SMILES for 4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene is Clc1ccc(CCOCCBr)cc1Cl.
What is the InChIKey of 4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene?
The InChIKey is CFOCZSKDVGPDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2O/c11-4-6-14-5-3-8-1-2-9(12)10(13)7-8/h1-2,7H,3-6H2.
What are the key properties of 4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene?
4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene has a molecular weight of 298.01 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene is sourced from PubChem (CID 89246462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).