2-[2-[4-[2-[4-[2-methoxy-3-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxymethyl]oxirane

C46H58O7 — CID 146353592

About 2-[2-[4-[2-[4-[2-methoxy-3-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxymethyl]oxirane

2-[2-[4-[2-[4-[2-methoxy-3-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxymethyl]oxirane (PubChem CID 146353592) has the molecular formula C46H58O7 and a molecular weight of 722.96 g/mol. Its IUPAC name is 2-[2-[4-[2-[4-[2-methoxy-3-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxymethyl]oxirane.

Molecular Properties

• Compound Name: 2-[2-[4-[2-[4-[2-methoxy-3-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxymethyl]oxirane
• PubChem CID: 146353592
• Molecular Formula: C46H58O7
• Molecular Weight: 722.96 g/mol
• Exact Mass: 722.42
• IUPAC Name: 2-[2-[4-[2-[4-[2-methoxy-3-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxymethyl]oxirane
• SMILES: COC(COc1ccc(C(C)(C)c2ccc(C(C)(C)OCC3CO3)cc2)cc1)COC(C)(C)c1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1
• InChI: InChI=1S/C46H58O7/c1-43(2,33-12-16-37(17-13-33)46(7,8)53-31-42-29-51-42)34-18-22-38(23-19-34)48-26-40(47-9)30-52-45(5,6)36-14-10-32(11-15-36)44(3,4)35-20-24-39(25-21-35)49-27-41-28-50-41/h10-25,40-42H,26-31H2,1-9H3
• InChIKey: XEOUFGQUAIDVKQ-UHFFFAOYSA-N
• XLogP: 9.11
• TPSA: 71.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.96
LogP ≤ 5	9.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-[4-[2-methoxy-3-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxymethyl]oxirane?

The IUPAC name of 2-[2-[4-[2-[4-[2-methoxy-3-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxymethyl]oxirane (CID 146353592) is 2-[2-[4-[2-[4-[2-methoxy-3-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxymethyl]oxirane.

What is the SMILES notation for 2-[2-[4-[2-[4-[2-methoxy-3-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxymethyl]oxirane?

The canonical SMILES for 2-[2-[4-[2-[4-[2-methoxy-3-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxymethyl]oxirane is COC(COc1ccc(C(C)(C)c2ccc(C(C)(C)OCC3CO3)cc2)cc1)COC(C)(C)c1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1.

What is the InChIKey of 2-[2-[4-[2-[4-[2-methoxy-3-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxymethyl]oxirane?

The InChIKey is XEOUFGQUAIDVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H58O7/c1-43(2,33-12-16-37(17-13-33)46(7,8)53-31-42-29-51-42)34-18-22-38(23-19-34)48-26-40(47-9)30-52-45(5,6)36-14-10-32(11-15-36)44(3,4)35-20-24-39(25-21-35)49-27-41-28-50-41/h10-25,40-42H,26-31H2,1-9H3.

What are the key properties of 2-[2-[4-[2-[4-[2-methoxy-3-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxymethyl]oxirane?

2-[2-[4-[2-[4-[2-methoxy-3-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxymethyl]oxirane has a molecular weight of 722.96 g/mol, XLogP of 9.11, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[2-[4-[2-methoxy-3-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxymethyl]oxirane is sourced from PubChem (CID 146353592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).