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

C11H14Br2O3 — CID 172635256

IUPAC1-bromo-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene
SMILESBrCOCCOCCOc1ccc(Br)cc1
InChIInChI=1S/C11H14Br2O3/c12-9-15-6-5-14-7-8-16-11-3-1-10(13)2-4-11/h1-4H,5-9H2
InChIKeyJNOSGFZTUOEXMD-UHFFFAOYSA-N
MW354.04 g/mol
LogP3.21
Rot. Bonds8

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

1-bromo-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene (PubChem CID 172635256) has the molecular formula C11H14Br2O3 and a molecular weight of 354.04 g/mol. Its IUPAC name is 1-bromo-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene
PubChem CID172635256
Molecular FormulaC11H14Br2O3
Molecular Weight354.04 g/mol
Exact Mass351.93
IUPAC Name1-bromo-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene
SMILESBrCOCCOCCOc1ccc(Br)cc1
InChIInChI=1S/C11H14Br2O3/c12-9-15-6-5-14-7-8-16-11-3-1-10(13)2-4-11/h1-4H,5-9H2
InChIKeyJNOSGFZTUOEXMD-UHFFFAOYSA-N
XLogP3.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.04
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 146502116
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
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
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-bromo-2-[2-(4-bromophenoxy)ethoxymethyl]benzene
CID 82831956
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661
1,3-dibromo-5-[3-(4-bromophenoxy)propoxy]benzene
CID 59330896

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1-bromo-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene (CID 172635256) is 1-bromo-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-bromo-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1-bromo-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene is BrCOCCOCCOc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene?
The InChIKey is JNOSGFZTUOEXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2O3/c12-9-15-6-5-14-7-8-16-11-3-1-10(13)2-4-11/h1-4H,5-9H2.
What are the key properties of 1-bromo-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene?
1-bromo-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene has a molecular weight of 354.04 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 172635256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).