1-(2-bromoethoxy)-3,5-dichlorobenzene

C8H7BrCl2O — CID 22246776

IUPAC1-(2-bromoethoxy)-3,5-dichlorobenzene
SMILESClc1cc(Cl)cc(OCCBr)c1
InChIInChI=1S/C8H7BrCl2O/c9-1-2-12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H2
InChIKeyVSJVOSZFQCWPSX-UHFFFAOYSA-N
MW269.95 g/mol
LogP3.77
Rot. Bonds3

About 1-(2-bromoethoxy)-3,5-dichlorobenzene

1-(2-bromoethoxy)-3,5-dichlorobenzene (PubChem CID 22246776) has the molecular formula C8H7BrCl2O and a molecular weight of 269.95 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-3,5-dichlorobenzene.

Molecular Properties

Compound Name1-(2-bromoethoxy)-3,5-dichlorobenzene
PubChem CID22246776
Molecular FormulaC8H7BrCl2O
Molecular Weight269.95 g/mol
Exact Mass267.91
IUPAC Name1-(2-bromoethoxy)-3,5-dichlorobenzene
SMILESClc1cc(Cl)cc(OCCBr)c1
InChIInChI=1S/C8H7BrCl2O/c9-1-2-12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H2
InChIKeyVSJVOSZFQCWPSX-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.95
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene
CID 59168458
1,3-dichloro-5-(5-chloropentoxy)benzene
CID 43621927
2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol
CID 54038432
1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene
CID 129135170
3-(3,5-dichlorophenoxy)propanethioamide
CID 43621954
1-(8-bromooctoxy)-3-chlorobenzene
CID 131871951
N-tert-butyl-4-(3,5-dichlorophenoxy)butan-1-amine
CID 62485378
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene
CID 65001708
1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one
CID 39359938
1-[2-(bromomethyl)-2-propylpentoxy]-3,5-dichlorobenzene
CID 65005747
1,3-dichloro-5-(ethoxymethoxy)benzene
CID 175806950
2-[2-(3,5-dichlorophenoxy)ethyl-methylamino]propanoic acid
CID 119912857

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-3,5-dichlorobenzene?
The IUPAC name of 1-(2-bromoethoxy)-3,5-dichlorobenzene (CID 22246776) is 1-(2-bromoethoxy)-3,5-dichlorobenzene.
What is the SMILES notation for 1-(2-bromoethoxy)-3,5-dichlorobenzene?
The canonical SMILES for 1-(2-bromoethoxy)-3,5-dichlorobenzene is Clc1cc(Cl)cc(OCCBr)c1.
What is the InChIKey of 1-(2-bromoethoxy)-3,5-dichlorobenzene?
The InChIKey is VSJVOSZFQCWPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrCl2O/c9-1-2-12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H2.
What are the key properties of 1-(2-bromoethoxy)-3,5-dichlorobenzene?
1-(2-bromoethoxy)-3,5-dichlorobenzene has a molecular weight of 269.95 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-3,5-dichlorobenzene is sourced from PubChem (CID 22246776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).