2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane

C13H16BrClO2 — CID 170630411

IUPAC2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane
SMILESClc1ccc(Br)c(CCOC2CCCCO2)c1
InChIInChI=1S/C13H16BrClO2/c14-12-5-4-11(15)9-10(12)6-8-17-13-3-1-2-7-16-13/h4-5,9,13H,1-3,6-8H2
InChIKeyYXHDKZSHYMSSLP-UHFFFAOYSA-N
MW319.63 g/mol
LogP4.19
Rot. Bonds4

About 2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane

2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane (PubChem CID 170630411) has the molecular formula C13H16BrClO2 and a molecular weight of 319.63 g/mol. Its IUPAC name is 2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane.

Molecular Properties

Compound Name2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane
PubChem CID170630411
Molecular FormulaC13H16BrClO2
Molecular Weight319.63 g/mol
Exact Mass318.00
IUPAC Name2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane
SMILESClc1ccc(Br)c(CCOC2CCCCO2)c1
InChIInChI=1S/C13H16BrClO2/c14-12-5-4-11(15)9-10(12)6-8-17-13-3-1-2-7-16-13/h4-5,9,13H,1-3,6-8H2
InChIKeyYXHDKZSHYMSSLP-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane?
The IUPAC name of 2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane (CID 170630411) is 2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane.
What is the SMILES notation for 2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane?
The canonical SMILES for 2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane is Clc1ccc(Br)c(CCOC2CCCCO2)c1.
What is the InChIKey of 2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane?
The InChIKey is YXHDKZSHYMSSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClO2/c14-12-5-4-11(15)9-10(12)6-8-17-13-3-1-2-7-16-13/h4-5,9,13H,1-3,6-8H2.
What are the key properties of 2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane?
2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane has a molecular weight of 319.63 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane is sourced from PubChem (CID 170630411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).