2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol

C23H28Br4O6 — CID 14093691

About 2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol

2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol (PubChem CID 14093691) has the molecular formula C23H28Br4O6 and a molecular weight of 720.09 g/mol. Its IUPAC name is 2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
• PubChem CID: 14093691
• Molecular Formula: C23H28Br4O6
• Molecular Weight: 720.09 g/mol
• Exact Mass: 715.86
• IUPAC Name: 2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
• SMILES: CC(C)(c1cc(Br)c(OCCOCCO)c(Br)c1)c1cc(Br)c(OCCOCCO)c(Br)c1
• InChI: InChI=1S/C23H28Br4O6/c1-23(2,15-11-17(24)21(18(25)12-15)32-9-7-30-5-3-28)16-13-19(26)22(20(27)14-16)33-10-8-31-6-4-29/h11-14,28-29H,3-10H2,1-2H3
• InChIKey: AXVFTYZDBSWBNH-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.09
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol (CID 14093691) is 2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol is CC(C)(c1cc(Br)c(OCCOCCO)c(Br)c1)c1cc(Br)c(OCCOCCO)c(Br)c1.

What is the InChIKey of 2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol?

The InChIKey is AXVFTYZDBSWBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Br4O6/c1-23(2,15-11-17(24)21(18(25)12-15)32-9-7-30-5-3-28)16-13-19(26)22(20(27)14-16)33-10-8-31-6-4-29/h11-14,28-29H,3-10H2,1-2H3.

What are the key properties of 2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol?

2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol has a molecular weight of 720.09 g/mol, XLogP of 5.84, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol is sourced from PubChem (CID 14093691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).