2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol

C13H19BrO3 — CID 167865489

IUPAC2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol
SMILESCC(C)c1ccc(OCCOCCO)c(Br)c1
InChIInChI=1S/C13H19BrO3/c1-10(2)11-3-4-13(12(14)9-11)17-8-7-16-6-5-15/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyPXJLMCQBZDCJHH-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.96
Rot. Bonds7

About 2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol

2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol (PubChem CID 167865489) has the molecular formula C13H19BrO3 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol
PubChem CID167865489
Molecular FormulaC13H19BrO3
Molecular Weight303.20 g/mol
Exact Mass302.05
IUPAC Name2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol
SMILESCC(C)c1ccc(OCCOCCO)c(Br)c1
InChIInChI=1S/C13H19BrO3/c1-10(2)11-3-4-13(12(14)9-11)17-8-7-16-6-5-15/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyPXJLMCQBZDCJHH-UHFFFAOYSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethanamine
CID 78937706
1-[3-bromo-4-(2-propoxyethoxy)phenyl]-N-methylethanamine
CID 55233854
2-[2,4-di(propan-2-yl)phenoxy]ethanol
CID 166451717
2-(2-bromo-4-propan-2-ylphenoxy)acetamide
CID 894118
2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol
CID 163912251
5-[2-bromo-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 114216751
(1S)-1-[3-bromo-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103403037
2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 53338792
2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol
CID 89126006
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
(2-bromo-4-methylphenyl) 4-(2-bromo-4-propan-2-ylphenoxy)butanoate
CID 19206397
phenyl 4-(2-bromo-4-propan-2-ylphenoxy)butanoate
CID 19206375

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol (CID 167865489) is 2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol is CC(C)c1ccc(OCCOCCO)c(Br)c1.
What is the InChIKey of 2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol?
The InChIKey is PXJLMCQBZDCJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO3/c1-10(2)11-3-4-13(12(14)9-11)17-8-7-16-6-5-15/h3-4,9-10,15H,5-8H2,1-2H3.
What are the key properties of 2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol?
2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol has a molecular weight of 303.20 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol is sourced from PubChem (CID 167865489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).