1-(2-bromoethoxy)-4-ethoxybenzene

C10H13BrO2 — CID 2384319

IUPAC1-(2-bromoethoxy)-4-ethoxybenzene
SMILESCCOc1ccc(OCCBr)cc1
InChIInChI=1S/C10H13BrO2/c1-2-12-9-3-5-10(6-4-9)13-8-7-11/h3-6H,2,7-8H2,1H3
InChIKeyGWIJIQSINPWYNU-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.86
Rot. Bonds5

About 1-(2-bromoethoxy)-4-ethoxybenzene

1-(2-bromoethoxy)-4-ethoxybenzene (PubChem CID 2384319) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-4-ethoxybenzene.

Molecular Properties

Compound Name1-(2-bromoethoxy)-4-ethoxybenzene
PubChem CID2384319
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-(2-bromoethoxy)-4-ethoxybenzene
SMILESCCOc1ccc(OCCBr)cc1
InChIInChI=1S/C10H13BrO2/c1-2-12-9-3-5-10(6-4-9)13-8-7-11/h3-6H,2,7-8H2,1H3
InChIKeyGWIJIQSINPWYNU-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-4-ethoxybenzene?
The IUPAC name of 1-(2-bromoethoxy)-4-ethoxybenzene (CID 2384319) is 1-(2-bromoethoxy)-4-ethoxybenzene.
What is the SMILES notation for 1-(2-bromoethoxy)-4-ethoxybenzene?
The canonical SMILES for 1-(2-bromoethoxy)-4-ethoxybenzene is CCOc1ccc(OCCBr)cc1.
What is the InChIKey of 1-(2-bromoethoxy)-4-ethoxybenzene?
The InChIKey is GWIJIQSINPWYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-2-12-9-3-5-10(6-4-9)13-8-7-11/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-(2-bromoethoxy)-4-ethoxybenzene?
1-(2-bromoethoxy)-4-ethoxybenzene has a molecular weight of 245.12 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-4-ethoxybenzene is sourced from PubChem (CID 2384319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).