(2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol

C25H36O6 — CID 90381423

About (2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol

(2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol (PubChem CID 90381423) has the molecular formula C25H36O6 and a molecular weight of 432.56 g/mol. Its IUPAC name is (2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol
• PubChem CID: 90381423
• Molecular Formula: C25H36O6
• Molecular Weight: 432.56 g/mol
• Exact Mass: 432.25
• IUPAC Name: (2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol
• SMILES: CC[C@@H](O)COc1ccc(C(C)(C)c2ccc(OCCOCCOCCO)cc2)cc1
• InChI: InChI=1S/C25H36O6/c1-4-22(27)19-31-24-11-7-21(8-12-24)25(2,3)20-5-9-23(10-6-20)30-18-17-29-16-15-28-14-13-26/h5-12,22,26-27H,4,13-19H2,1-3H3/t22-/m1/s1
• InChIKey: DCNWETBKHXYDKI-JOCHJYFZSA-N
• XLogP: 3.57
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.56
LogP ≤ 5	3.57
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 (2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol?

The IUPAC name of (2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol (CID 90381423) is (2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol.

What is the SMILES notation for (2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol?

The canonical SMILES for (2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol is CC[C@@H](O)COc1ccc(C(C)(C)c2ccc(OCCOCCOCCO)cc2)cc1.

What is the InChIKey of (2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol?

The InChIKey is DCNWETBKHXYDKI-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H36O6/c1-4-22(27)19-31-24-11-7-21(8-12-24)25(2,3)20-5-9-23(10-6-20)30-18-17-29-16-15-28-14-13-26/h5-12,22,26-27H,4,13-19H2,1-3H3/t22-/m1/s1.

What are the key properties of (2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol?

(2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol has a molecular weight of 432.56 g/mol, XLogP of 3.57, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol is sourced from PubChem (CID 90381423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).