[2-[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]cyclopropyl]methanol

C39H42O6 — CID 148553711

About [2-[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]cyclopropyl]methanol

[2-[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]cyclopropyl]methanol (PubChem CID 148553711) has the molecular formula C39H42O6 and a molecular weight of 606.76 g/mol. Its IUPAC name is [2-[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]cyclopropyl]methanol.

Molecular Properties

• Compound Name: [2-[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]cyclopropyl]methanol
• PubChem CID: 148553711
• Molecular Formula: C39H42O6
• Molecular Weight: 606.76 g/mol
• Exact Mass: 606.30
• IUPAC Name: [2-[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]cyclopropyl]methanol
• SMILES: CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(C(C)(c2ccc(OCC3CO3)cc2)c2ccc(OC3CC3CO)cc2)cc1
• InChI: InChI=1S/C39H42O6/c1-38(2,28-8-14-32(15-9-28)41-22-35-24-43-35)27-4-6-29(7-5-27)39(3,30-10-16-33(17-11-30)42-23-36-25-44-36)31-12-18-34(19-13-31)45-37-20-26(37)21-40/h4-19,26,35-37,40H,20-25H2,1-3H3
• InChIKey: MTQPDKOQGNYUCO-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 72.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.76
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]cyclopropyl]methanol?

The IUPAC name of [2-[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]cyclopropyl]methanol (CID 148553711) is [2-[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]cyclopropyl]methanol.

What is the SMILES notation for [2-[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]cyclopropyl]methanol?

The canonical SMILES for [2-[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]cyclopropyl]methanol is CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(C(C)(c2ccc(OCC3CO3)cc2)c2ccc(OC3CC3CO)cc2)cc1.

What is the InChIKey of [2-[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]cyclopropyl]methanol?

The InChIKey is MTQPDKOQGNYUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42O6/c1-38(2,28-8-14-32(15-9-28)41-22-35-24-43-35)27-4-6-29(7-5-27)39(3,30-10-16-33(17-11-30)42-23-36-25-44-36)31-12-18-34(19-13-31)45-37-20-26(37)21-40/h4-19,26,35-37,40H,20-25H2,1-3H3.

What are the key properties of [2-[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]cyclopropyl]methanol?

[2-[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]cyclopropyl]methanol has a molecular weight of 606.76 g/mol, XLogP of 6.68, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]cyclopropyl]methanol is sourced from PubChem (CID 148553711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).