2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane

C32H28O4 — CID 178028891

About 2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane

2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane (PubChem CID 178028891) has the molecular formula C32H28O4 and a molecular weight of 476.57 g/mol. Its IUPAC name is 2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane.

Molecular Properties

• Compound Name: 2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane
• PubChem CID: 178028891
• Molecular Formula: C32H28O4
• Molecular Weight: 476.57 g/mol
• Exact Mass: 476.20
• IUPAC Name: 2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane
• SMILES: c1ccc2c(c1)-c1ccccc1C2(c1ccc(OCCC2CO2)cc1)c1ccc(OCC2CO2)cc1
• InChI: InChI=1S/C32H28O4/c1-3-7-30-28(5-1)29-6-2-4-8-31(29)32(30,23-11-15-25(16-12-23)34-20-27-21-36-27)22-9-13-24(14-10-22)33-18-17-26-19-35-26/h1-16,26-27H,17-21H2
• InChIKey: UDWMEIIBCXDDRL-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 43.52 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.57
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane?

The IUPAC name of 2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane (CID 178028891) is 2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane.

What is the SMILES notation for 2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane?

The canonical SMILES for 2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane is c1ccc2c(c1)-c1ccccc1C2(c1ccc(OCCC2CO2)cc1)c1ccc(OCC2CO2)cc1.

What is the InChIKey of 2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane?

The InChIKey is UDWMEIIBCXDDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28O4/c1-3-7-30-28(5-1)29-6-2-4-8-31(29)32(30,23-11-15-25(16-12-23)34-20-27-21-36-27)22-9-13-24(14-10-22)33-18-17-26-19-35-26/h1-16,26-27H,17-21H2.

What are the key properties of 2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane?

2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane has a molecular weight of 476.57 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane is sourced from PubChem (CID 178028891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).