2-[4-methoxy-2-methyl-2-[4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butyl]oxirane

C33H42O2 — CID 144587120

About 2-[4-methoxy-2-methyl-2-[4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butyl]oxirane

2-[4-methoxy-2-methyl-2-[4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butyl]oxirane (PubChem CID 144587120) has the molecular formula C33H42O2 and a molecular weight of 470.70 g/mol. Its IUPAC name is 2-[4-methoxy-2-methyl-2-[4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butyl]oxirane.

Molecular Properties

• Compound Name: 2-[4-methoxy-2-methyl-2-[4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butyl]oxirane
• PubChem CID: 144587120
• Molecular Formula: C33H42O2
• Molecular Weight: 470.70 g/mol
• Exact Mass: 470.32
• IUPAC Name: 2-[4-methoxy-2-methyl-2-[4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butyl]oxirane
• SMILES: COCCC(C)(CC1CO1)c1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1
• InChI: InChI=1S/C33H42O2/c1-24-8-10-25(11-9-24)31(2,3)26-12-14-27(15-13-26)32(4,5)28-16-18-29(19-17-28)33(6,20-21-34-7)22-30-23-35-30/h8-19,30H,20-23H2,1-7H3
• InChIKey: UBJCKFPBXPHPRZ-UHFFFAOYSA-N
• XLogP: 7.73
• TPSA: 21.76 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.70
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-methyl-2-[4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butyl]oxirane?

The IUPAC name of 2-[4-methoxy-2-methyl-2-[4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butyl]oxirane (CID 144587120) is 2-[4-methoxy-2-methyl-2-[4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butyl]oxirane.

What is the SMILES notation for 2-[4-methoxy-2-methyl-2-[4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butyl]oxirane?

The canonical SMILES for 2-[4-methoxy-2-methyl-2-[4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butyl]oxirane is COCCC(C)(CC1CO1)c1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1.

What is the InChIKey of 2-[4-methoxy-2-methyl-2-[4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butyl]oxirane?

The InChIKey is UBJCKFPBXPHPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42O2/c1-24-8-10-25(11-9-24)31(2,3)26-12-14-27(15-13-26)32(4,5)28-16-18-29(19-17-28)33(6,20-21-34-7)22-30-23-35-30/h8-19,30H,20-23H2,1-7H3.

What are the key properties of 2-[4-methoxy-2-methyl-2-[4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butyl]oxirane?

2-[4-methoxy-2-methyl-2-[4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butyl]oxirane has a molecular weight of 470.70 g/mol, XLogP of 7.73, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-methoxy-2-methyl-2-[4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butyl]oxirane is sourced from PubChem (CID 144587120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).