2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol

C23H32O5 — CID 176854878

About 2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol

2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol (PubChem CID 176854878) has the molecular formula C23H32O5 and a molecular weight of 388.50 g/mol. Its IUPAC name is 2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
• PubChem CID: 176854878
• Molecular Formula: C23H32O5
• Molecular Weight: 388.50 g/mol
• Exact Mass: 388.22
• IUPAC Name: 2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
• SMILES: CCOCCOc1ccc(C(C)(C)c2ccc(OCCOCCO)cc2)cc1
• InChI: InChI=1S/C23H32O5/c1-4-25-15-17-27-21-9-5-19(6-10-21)23(2,3)20-7-11-22(12-8-20)28-18-16-26-14-13-24/h5-12,24H,4,13-18H2,1-3H3
• InChIKey: AGSQNYPSNGKCAA-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.50
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol (CID 176854878) is 2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol is CCOCCOc1ccc(C(C)(C)c2ccc(OCCOCCO)cc2)cc1.

What is the InChIKey of 2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol?

The InChIKey is AGSQNYPSNGKCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O5/c1-4-25-15-17-27-21-9-5-19(6-10-21)23(2,3)20-7-11-22(12-8-20)28-18-16-26-14-13-24/h5-12,24H,4,13-18H2,1-3H3.

What are the key properties of 2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol?

2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol has a molecular weight of 388.50 g/mol, XLogP of 3.82, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol is sourced from PubChem (CID 176854878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).