1-(2-bromoethoxy)-3-chlorobenzene

C8H8BrClO — CID 2507720

IUPAC1-(2-bromoethoxy)-3-chlorobenzene
SMILESClc1cccc(OCCBr)c1
InChIInChI=1S/C8H8BrClO/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6H,4-5H2
InChIKeyFUQNMWDFNCBVOK-UHFFFAOYSA-N
MW235.51 g/mol
LogP3.11
Rot. Bonds3

About 1-(2-bromoethoxy)-3-chlorobenzene

1-(2-bromoethoxy)-3-chlorobenzene (PubChem CID 2507720) has the molecular formula C8H8BrClO and a molecular weight of 235.51 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-3-chlorobenzene.

Molecular Properties

Compound Name1-(2-bromoethoxy)-3-chlorobenzene
PubChem CID2507720
Molecular FormulaC8H8BrClO
Molecular Weight235.51 g/mol
Exact Mass233.94
IUPAC Name1-(2-bromoethoxy)-3-chlorobenzene
SMILESClc1cccc(OCCBr)c1
InChIInChI=1S/C8H8BrClO/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6H,4-5H2
InChIKeyFUQNMWDFNCBVOK-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-3-chlorobenzene?
The IUPAC name of 1-(2-bromoethoxy)-3-chlorobenzene (CID 2507720) is 1-(2-bromoethoxy)-3-chlorobenzene.
What is the SMILES notation for 1-(2-bromoethoxy)-3-chlorobenzene?
The canonical SMILES for 1-(2-bromoethoxy)-3-chlorobenzene is Clc1cccc(OCCBr)c1.
What is the InChIKey of 1-(2-bromoethoxy)-3-chlorobenzene?
The InChIKey is FUQNMWDFNCBVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6H,4-5H2.
What are the key properties of 1-(2-bromoethoxy)-3-chlorobenzene?
1-(2-bromoethoxy)-3-chlorobenzene has a molecular weight of 235.51 g/mol, XLogP of 3.11, 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-chlorobenzene is sourced from PubChem (CID 2507720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).