1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene

C13H18Br2O2 — CID 63685610

IUPAC1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene
SMILESCCCOCCOC(CBr)c1cccc(Br)c1
InChIInChI=1S/C13H18Br2O2/c1-2-6-16-7-8-17-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13H,2,6-8,10H2,1H3
InChIKeyKXFXKRRCXGLXJD-UHFFFAOYSA-N
MW366.09 g/mol
LogP4.33
Rot. Bonds8

About 1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene

1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene (PubChem CID 63685610) has the molecular formula C13H18Br2O2 and a molecular weight of 366.09 g/mol. Its IUPAC name is 1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene
PubChem CID63685610
Molecular FormulaC13H18Br2O2
Molecular Weight366.09 g/mol
Exact Mass363.97
IUPAC Name1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene
SMILESCCCOCCOC(CBr)c1cccc(Br)c1
InChIInChI=1S/C13H18Br2O2/c1-2-6-16-7-8-17-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13H,2,6-8,10H2,1H3
InChIKeyKXFXKRRCXGLXJD-UHFFFAOYSA-N
XLogP4.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.09
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene
CID 62107616
1-bromo-3-(2-bromo-1-heptoxyethyl)benzene
CID 63474762
1-[2-bromo-1-(2-butoxyethoxy)ethyl]-3-chlorobenzene
CID 62107441
1-[2-bromo-1-(2-propoxyethoxy)ethyl]-4-methylbenzene
CID 63684889
1-[2-bromo-1-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylbenzene
CID 113427330
1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene
CID 104565572
[(1R)-2-bromo-1-(3-bromophenyl)ethoxy]-trimethylsilane
CID 129406642
2-(3-bromophenyl)-2-butoxy-N-methylethanamine
CID 62107473
1-[2-bromo-1-(2-propoxyethoxy)ethyl]-2-fluorobenzene
CID 63684700
2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
CID 103405191
1-[2-bromo-1-[3-(2-methoxyethoxy)propoxy]ethyl]-3-chlorobenzene
CID 103405049
1-bromo-3-[2-(bromomethyl)-4-propoxybutyl]benzene
CID 106459640

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene?
The IUPAC name of 1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene (CID 63685610) is 1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene.
What is the SMILES notation for 1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene?
The canonical SMILES for 1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene is CCCOCCOC(CBr)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene?
The InChIKey is KXFXKRRCXGLXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2O2/c1-2-6-16-7-8-17-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13H,2,6-8,10H2,1H3.
What are the key properties of 1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene?
1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene has a molecular weight of 366.09 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene is sourced from PubChem (CID 63685610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).