1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene

C14H20Br2O4 — CID 146502116

IUPAC1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene
SMILESBrCCOCCOCCOCCOc1ccc(Br)cc1
InChIInChI=1S/C14H20Br2O4/c15-5-6-17-7-8-18-9-10-19-11-12-20-14-3-1-13(16)2-4-14/h1-4H,5-12H2
InChIKeyHBEBEHOSBMXWCV-UHFFFAOYSA-N
MW412.12 g/mol
LogP3.27
Rot. Bonds12

About 1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene

1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene (PubChem CID 146502116) has the molecular formula C14H20Br2O4 and a molecular weight of 412.12 g/mol. Its IUPAC name is 1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene
PubChem CID146502116
Molecular FormulaC14H20Br2O4
Molecular Weight412.12 g/mol
Exact Mass409.97
IUPAC Name1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene
SMILESBrCCOCCOCCOCCOc1ccc(Br)cc1
InChIInChI=1S/C14H20Br2O4/c15-5-6-17-7-8-18-9-10-19-11-12-20-14-3-1-13(16)2-4-14/h1-4H,5-12H2
InChIKeyHBEBEHOSBMXWCV-UHFFFAOYSA-N
XLogP3.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.12
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene
CID 172635256
1-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]-4-octoxybenzene
CID 71377683
2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine
CID 2246319
1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 59116280
1-[2-(4-bromophenoxy)ethoxy]-2-methylpropan-2-amine
CID 64537776
2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 153491025
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
2-[2-[2-(4-bromophenoxy)ethoxy]ethyl]thiophene
CID 54970997
2-(3-bromopropoxy)ethoxybenzene
CID 43135436
1,2-bis[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-hydroxyethanone
CID 123752712
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene?
The IUPAC name of 1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene (CID 146502116) is 1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene?
The canonical SMILES for 1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene is BrCCOCCOCCOCCOc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene?
The InChIKey is HBEBEHOSBMXWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2O4/c15-5-6-17-7-8-18-9-10-19-11-12-20-14-3-1-13(16)2-4-14/h1-4H,5-12H2.
What are the key properties of 1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene?
1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene has a molecular weight of 412.12 g/mol, XLogP of 3.27, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene is sourced from PubChem (CID 146502116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).