1-(2-bromoethoxy)ethylbenzene

C10H13BrO — CID 24688557

IUPAC1-(2-bromoethoxy)ethylbenzene
SMILESCC(OCCBr)c1ccccc1
InChIInChI=1S/C10H13BrO/c1-9(12-8-7-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyZKCOWJRHBDERRJ-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.16
Rot. Bonds4

About 1-(2-bromoethoxy)ethylbenzene

1-(2-bromoethoxy)ethylbenzene (PubChem CID 24688557) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 1-(2-bromoethoxy)ethylbenzene.

Molecular Properties

Compound Name1-(2-bromoethoxy)ethylbenzene
PubChem CID24688557
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name1-(2-bromoethoxy)ethylbenzene
SMILESCC(OCCBr)c1ccccc1
InChIInChI=1S/C10H13BrO/c1-9(12-8-7-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyZKCOWJRHBDERRJ-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.16
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

[1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene
CID 10717396
[2-bromo-1-(2-bromoethoxy)ethyl]benzene
CID 13011074
1-pentoxyethylbenzene;hydrate
CID 174634303
1-(chloromethoxy)ethylbenzene
CID 13140582
1-(2-bromoethoxy)ethoxybenzene
CID 69208548
N-[2-(1-phenylethoxy)ethyl]propan-1-amine
CID 62444581
5-(1-phenylethoxy)pentanenitrile
CID 55136374
1-phenyl-4-(1-propoxyethyl)benzene
CID 56976373
1-[1-(3-bromopropoxy)ethyl]-4-methylbenzene
CID 134571150
2-ethoxy-N-[2-(1-phenylethoxy)ethyl]ethanamine
CID 62566170
6-(1-phenylethoxy)hexan-2-one
CID 62030605
1-(cyclopentylmethoxy)ethylbenzene
CID 90167891

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)ethylbenzene?
The IUPAC name of 1-(2-bromoethoxy)ethylbenzene (CID 24688557) is 1-(2-bromoethoxy)ethylbenzene.
What is the SMILES notation for 1-(2-bromoethoxy)ethylbenzene?
The canonical SMILES for 1-(2-bromoethoxy)ethylbenzene is CC(OCCBr)c1ccccc1.
What is the InChIKey of 1-(2-bromoethoxy)ethylbenzene?
The InChIKey is ZKCOWJRHBDERRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-9(12-8-7-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 1-(2-bromoethoxy)ethylbenzene?
1-(2-bromoethoxy)ethylbenzene has a molecular weight of 229.12 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)ethylbenzene is sourced from PubChem (CID 24688557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).