bromobenzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

C12H19BrO4 — CID 142513335

IUPACbromobenzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESBrc1ccccc1.OCCOCCOCCO
InChIInChI=1S/C6H5Br.C6H14O4/c7-6-4-2-1-3-5-6;7-1-3-9-5-6-10-4-2-8/h1-5H;7-8H,1-6H2
InChIKeyOCJGWIWQEIXUGC-UHFFFAOYSA-N
MW307.18 g/mol
LogP1.45
Rot. Bonds7

About bromobenzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

bromobenzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (PubChem CID 142513335) has the molecular formula C12H19BrO4 and a molecular weight of 307.18 g/mol. Its IUPAC name is bromobenzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Namebromobenzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
PubChem CID142513335
Molecular FormulaC12H19BrO4
Molecular Weight307.18 g/mol
Exact Mass306.05
IUPAC Namebromobenzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESBrc1ccccc1.OCCOCCOCCO
InChIInChI=1S/C6H5Br.C6H14O4/c7-6-4-2-1-3-5-6;7-1-3-9-5-6-10-4-2-8/h1-5H;7-8H,1-6H2
InChIKeyOCJGWIWQEIXUGC-UHFFFAOYSA-N
XLogP1.45
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromobenzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The IUPAC name of bromobenzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (CID 142513335) is bromobenzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.
What is the SMILES notation for bromobenzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The canonical SMILES for bromobenzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is Brc1ccccc1.OCCOCCOCCO.
What is the InChIKey of bromobenzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The InChIKey is OCJGWIWQEIXUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.C6H14O4/c7-6-4-2-1-3-5-6;7-1-3-9-5-6-10-4-2-8/h1-5H;7-8H,1-6H2.
What are the key properties of bromobenzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
bromobenzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol has a molecular weight of 307.18 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 142513335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).