2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane

C104H104O16 — CID 158459779

About 2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane

2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane (PubChem CID 158459779) has the molecular formula C104H104O16 and a molecular weight of 1609.96 g/mol. Its IUPAC name is 2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane.

Molecular Properties

• Compound Name: 2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
• PubChem CID: 158459779
• Molecular Formula: C104H104O16
• Molecular Weight: 1609.96 g/mol
• Exact Mass: 1608.73
• IUPAC Name: 2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
• SMILES: c1cc(Cc2ccc(Cc3ccc(OCC4CO4)cc3)cc2)cc(OCC2CO2)c1.c1cc(Cc2ccc(Cc3ccc(OCC4CO4)cc3)cc2)cc(OCC2CO2)c1.c1cc(Cc2ccc(Cc3cccc(OCC4CO4)c3)cc2)cc(OCC2CO2)c1.c1cc(Cc2ccc(OCC3CO3)cc2)ccc1Cc1ccc(OCC2CO2)cc1
• InChI: InChI=1S/4C26H26O4/c1-3-21(13-23(5-1)27-15-25-17-29-25)11-19-7-9-20(10-8-19)12-22-4-2-6-24(14-22)28-16-26-18-30-26;1-2-20(14-22-7-11-24(12-8-22)28-16-26-18-30-26)4-3-19(1)13-21-5-9-23(10-6-21)27-15-25-17-29-25;2*1-2-22(14-24(3-1)28-16-26-18-30-26)13-20-6-4-19(5-7-20)12-21-8-10-23(11-9-21)27-15-25-17-29-25/h1-10,13-14,25-26H,11-12,15-18H2;1-12,25-26H,13-18H2;2*1-11,14,25-26H,12-13,15-18H2
• InChIKey: HFAHXTVNIGYCJD-UHFFFAOYSA-N
• XLogP: 17.69
• TPSA: 174.08 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 40
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1609.96
LogP ≤ 5	17.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane?

The IUPAC name of 2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane (CID 158459779) is 2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane.

What is the SMILES notation for 2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane?

The canonical SMILES for 2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane is c1cc(Cc2ccc(Cc3ccc(OCC4CO4)cc3)cc2)cc(OCC2CO2)c1.c1cc(Cc2ccc(Cc3ccc(OCC4CO4)cc3)cc2)cc(OCC2CO2)c1.c1cc(Cc2ccc(Cc3cccc(OCC4CO4)c3)cc2)cc(OCC2CO2)c1.c1cc(Cc2ccc(OCC3CO3)cc2)ccc1Cc1ccc(OCC2CO2)cc1.

What is the InChIKey of 2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane?

The InChIKey is HFAHXTVNIGYCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C26H26O4/c1-3-21(13-23(5-1)27-15-25-17-29-25)11-19-7-9-20(10-8-19)12-22-4-2-6-24(14-22)28-16-26-18-30-26;1-2-20(14-22-7-11-24(12-8-22)28-16-26-18-30-26)4-3-19(1)13-21-5-9-23(10-6-21)27-15-25-17-29-25;2*1-2-22(14-24(3-1)28-16-26-18-30-26)13-20-6-4-19(5-7-20)12-21-8-10-23(11-9-21)27-15-25-17-29-25/h1-10,13-14,25-26H,11-12,15-18H2;1-12,25-26H,13-18H2;2*1-11,14,25-26H,12-13,15-18H2.

What are the key properties of 2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane?

2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane has a molecular weight of 1609.96 g/mol, XLogP of 17.69, 40 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 158459779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).