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

C14H20Br2O2 — CID 62107616

IUPAC1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene
SMILESCCCCOCCOC(CBr)c1cccc(Br)c1
InChIInChI=1S/C14H20Br2O2/c1-2-3-7-17-8-9-18-14(11-15)12-5-4-6-13(16)10-12/h4-6,10,14H,2-3,7-9,11H2,1H3
InChIKeyLIVRPKJBEUVHRY-UHFFFAOYSA-N
MW380.12 g/mol
LogP4.72
Rot. Bonds9

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

1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene (PubChem CID 62107616) has the molecular formula C14H20Br2O2 and a molecular weight of 380.12 g/mol. Its IUPAC name is 1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene
PubChem CID62107616
Molecular FormulaC14H20Br2O2
Molecular Weight380.12 g/mol
Exact Mass377.98
IUPAC Name1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene
SMILESCCCCOCCOC(CBr)c1cccc(Br)c1
InChIInChI=1S/C14H20Br2O2/c1-2-3-7-17-8-9-18-14(11-15)12-5-4-6-13(16)10-12/h4-6,10,14H,2-3,7-9,11H2,1H3
InChIKeyLIVRPKJBEUVHRY-UHFFFAOYSA-N
XLogP4.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.12
LogP ≤ 54.72
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-propoxyethoxy)ethyl]benzene
CID 63685610
1-bromo-3-(2-bromo-1-heptoxyethyl)benzene
CID 63474762
1-[2-bromo-1-(2-butoxyethoxy)ethyl]-3-chlorobenzene
CID 62107441
2-(3-bromophenyl)-2-butoxy-N-methylethanamine
CID 62107473
1-bromo-2-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene
CID 62106912
1-[2-bromo-1-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylbenzene
CID 113427330
2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
CID 103405191
1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene
CID 104565572
1-[2-bromo-1-[3-(2-methoxyethoxy)propoxy]ethyl]-3-chlorobenzene
CID 103405049
1-[2-bromo-1-(2-propoxyethoxy)ethyl]-4-methylbenzene
CID 63684889
2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine
CID 62110378
1-(2-bromo-1-hexoxyethyl)-3-methoxybenzene
CID 62108343

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene?
The IUPAC name of 1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene (CID 62107616) is 1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene.
What is the SMILES notation for 1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene?
The canonical SMILES for 1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene is CCCCOCCOC(CBr)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene?
The InChIKey is LIVRPKJBEUVHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2O2/c1-2-3-7-17-8-9-18-14(11-15)12-5-4-6-13(16)10-12/h4-6,10,14H,2-3,7-9,11H2,1H3.
What are the key properties of 1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene?
1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene has a molecular weight of 380.12 g/mol, XLogP of 4.72, 9 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-butoxyethoxy)ethyl]benzene is sourced from PubChem (CID 62107616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).