2-(2-bromophenoxy)ethanol

C8H9BrO2 — CID 11106802

IUPAC2-(2-bromophenoxy)ethanol
SMILESOCCOc1ccccc1Br
InChIInChI=1S/C8H9BrO2/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2
InChIKeyKKLBXMUYKQBAAB-UHFFFAOYSA-N
MW217.06 g/mol
LogP1.82
Rot. Bonds3

About 2-(2-bromophenoxy)ethanol

2-(2-bromophenoxy)ethanol (PubChem CID 11106802) has the molecular formula C8H9BrO2 and a molecular weight of 217.06 g/mol. Its IUPAC name is 2-(2-bromophenoxy)ethanol.

Molecular Properties

Compound Name2-(2-bromophenoxy)ethanol
PubChem CID11106802
Molecular FormulaC8H9BrO2
Molecular Weight217.06 g/mol
Exact Mass215.98
IUPAC Name2-(2-bromophenoxy)ethanol
SMILESOCCOc1ccccc1Br
InChIInChI=1S/C8H9BrO2/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2
InChIKeyKKLBXMUYKQBAAB-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)ethanol?
The IUPAC name of 2-(2-bromophenoxy)ethanol (CID 11106802) is 2-(2-bromophenoxy)ethanol.
What is the SMILES notation for 2-(2-bromophenoxy)ethanol?
The canonical SMILES for 2-(2-bromophenoxy)ethanol is OCCOc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)ethanol?
The InChIKey is KKLBXMUYKQBAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO2/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2.
What are the key properties of 2-(2-bromophenoxy)ethanol?
2-(2-bromophenoxy)ethanol has a molecular weight of 217.06 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)ethanol is sourced from PubChem (CID 11106802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).