2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane

C37H38O6 — CID 161234514

About 2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane

2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane (PubChem CID 161234514) has the molecular formula C37H38O6 and a molecular weight of 578.71 g/mol. Its IUPAC name is 2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane.

Molecular Properties

• Compound Name: 2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane
• PubChem CID: 161234514
• Molecular Formula: C37H38O6
• Molecular Weight: 578.71 g/mol
• Exact Mass: 578.27
• IUPAC Name: 2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane
• SMILES: Cc1cc(-c2ccc3c(c2-c2ccc(OCCOCC4CO4)c(C)c2)Cc2ccccc2-3)ccc1OCCOCC1CO1
• InChI: InChI=1S/C37H38O6/c1-24-17-27(7-11-35(24)40-15-13-38-20-29-22-42-29)32-9-10-33-31-6-4-3-5-26(31)19-34(33)37(32)28-8-12-36(25(2)18-28)41-16-14-39-21-30-23-43-30/h3-12,17-18,29-30H,13-16,19-23H2,1-2H3
• InChIKey: UZEREAPVOUFODU-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 61.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.71
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane?

The IUPAC name of 2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane (CID 161234514) is 2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane.

What is the SMILES notation for 2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane?

The canonical SMILES for 2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane is Cc1cc(-c2ccc3c(c2-c2ccc(OCCOCC4CO4)c(C)c2)Cc2ccccc2-3)ccc1OCCOCC1CO1.

What is the InChIKey of 2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane?

The InChIKey is UZEREAPVOUFODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38O6/c1-24-17-27(7-11-35(24)40-15-13-38-20-29-22-42-29)32-9-10-33-31-6-4-3-5-26(31)19-34(33)37(32)28-8-12-36(25(2)18-28)41-16-14-39-21-30-23-43-30/h3-12,17-18,29-30H,13-16,19-23H2,1-2H3.

What are the key properties of 2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane?

2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane has a molecular weight of 578.71 g/mol, XLogP of 6.80, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane is sourced from PubChem (CID 161234514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).