1-bromo-3-(2-chloroethoxy)benzene

C8H8BrClO — CID 43135590

IUPAC1-bromo-3-(2-chloroethoxy)benzene
SMILESClCCOc1cccc(Br)c1
InChIInChI=1S/C8H8BrClO/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,4-5H2
InChIKeySKCZJIJRFHLPCY-UHFFFAOYSA-N
MW235.51 g/mol
LogP3.07
Rot. Bonds3

About 1-bromo-3-(2-chloroethoxy)benzene

1-bromo-3-(2-chloroethoxy)benzene (PubChem CID 43135590) has the molecular formula C8H8BrClO and a molecular weight of 235.51 g/mol. Its IUPAC name is 1-bromo-3-(2-chloroethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-(2-chloroethoxy)benzene
PubChem CID43135590
Molecular FormulaC8H8BrClO
Molecular Weight235.51 g/mol
Exact Mass233.94
IUPAC Name1-bromo-3-(2-chloroethoxy)benzene
SMILESClCCOc1cccc(Br)c1
InChIInChI=1S/C8H8BrClO/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,4-5H2
InChIKeySKCZJIJRFHLPCY-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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-bromo-3-(2-chloroethoxy)benzene?
The IUPAC name of 1-bromo-3-(2-chloroethoxy)benzene (CID 43135590) is 1-bromo-3-(2-chloroethoxy)benzene.
What is the SMILES notation for 1-bromo-3-(2-chloroethoxy)benzene?
The canonical SMILES for 1-bromo-3-(2-chloroethoxy)benzene is ClCCOc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(2-chloroethoxy)benzene?
The InChIKey is SKCZJIJRFHLPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,4-5H2.
What are the key properties of 1-bromo-3-(2-chloroethoxy)benzene?
1-bromo-3-(2-chloroethoxy)benzene has a molecular weight of 235.51 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-chloroethoxy)benzene is sourced from PubChem (CID 43135590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).