2-[2-(2-bromophenoxy)ethoxy]oxane

C13H17BrO3 — CID 11087925

IUPAC2-[2-(2-bromophenoxy)ethoxy]oxane
SMILESBrc1ccccc1OCCOC1CCCCO1
InChIInChI=1S/C13H17BrO3/c14-11-5-1-2-6-12(11)15-9-10-17-13-7-3-4-8-16-13/h1-2,5-6,13H,3-4,7-10H2
InChIKeyNDHKPERQHLHPHR-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.37
Rot. Bonds5

About 2-[2-(2-bromophenoxy)ethoxy]oxane

2-[2-(2-bromophenoxy)ethoxy]oxane (PubChem CID 11087925) has the molecular formula C13H17BrO3 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-[2-(2-bromophenoxy)ethoxy]oxane.

Molecular Properties

Compound Name2-[2-(2-bromophenoxy)ethoxy]oxane
PubChem CID11087925
Molecular FormulaC13H17BrO3
Molecular Weight301.18 g/mol
Exact Mass300.04
IUPAC Name2-[2-(2-bromophenoxy)ethoxy]oxane
SMILESBrc1ccccc1OCCOC1CCCCO1
InChIInChI=1S/C13H17BrO3/c14-11-5-1-2-6-12(11)15-9-10-17-13-7-3-4-8-16-13/h1-2,5-6,13H,3-4,7-10H2
InChIKeyNDHKPERQHLHPHR-UHFFFAOYSA-N
XLogP3.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenoxyethoxy)oxane
CID 11736193
2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone
CID 71216693
(2S)-2-[3-(2-methoxyphenoxy)propoxy]oxane
CID 100761288
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 150391771
2-bromo-3-[4-(oxan-2-yloxy)butoxy]benzonitrile
CID 171476346
2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane
CID 10760189
3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol
CID 174187887
2-[4-(oxan-2-yloxy)butoxy]benzoate
CID 22152020
2-[2-(4-bromo-3-methylphenoxy)ethoxy]oxane
CID 67314274
methyl 3-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]prop-2-enoate
CID 72616107
2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid
CID 146457189

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenoxy)ethoxy]oxane?
The IUPAC name of 2-[2-(2-bromophenoxy)ethoxy]oxane (CID 11087925) is 2-[2-(2-bromophenoxy)ethoxy]oxane.
What is the SMILES notation for 2-[2-(2-bromophenoxy)ethoxy]oxane?
The canonical SMILES for 2-[2-(2-bromophenoxy)ethoxy]oxane is Brc1ccccc1OCCOC1CCCCO1.
What is the InChIKey of 2-[2-(2-bromophenoxy)ethoxy]oxane?
The InChIKey is NDHKPERQHLHPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO3/c14-11-5-1-2-6-12(11)15-9-10-17-13-7-3-4-8-16-13/h1-2,5-6,13H,3-4,7-10H2.
What are the key properties of 2-[2-(2-bromophenoxy)ethoxy]oxane?
2-[2-(2-bromophenoxy)ethoxy]oxane has a molecular weight of 301.18 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenoxy)ethoxy]oxane is sourced from PubChem (CID 11087925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).