1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene

C45H44O — CID 155021469

About 1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene

1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene (PubChem CID 155021469) has the molecular formula C45H44O and a molecular weight of 600.85 g/mol. Its IUPAC name is 1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene.

Molecular Properties

• Compound Name: 1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene
• PubChem CID: 155021469
• Molecular Formula: C45H44O
• Molecular Weight: 600.85 g/mol
• Exact Mass: 600.34
• IUPAC Name: 1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene
• SMILES: COc1ccc(C(c2ccccc2)(c2ccc(C(C)(C)C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)C(C)C)cc1
• InChI: InChI=1S/C45H44O/c1-34(2)44(36-18-10-6-11-19-36,38-30-32-42(46-5)33-31-38)37-28-26-35(27-29-37)43(3,4)45(39-20-12-7-13-21-39,40-22-14-8-15-23-40)41-24-16-9-17-25-41/h6-34H,1-5H3
• InChIKey: SVCRZJGOJXVKNO-UHFFFAOYSA-N
• XLogP: 11.00
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.85
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene?

The IUPAC name of 1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene (CID 155021469) is 1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene.

What is the SMILES notation for 1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene?

The canonical SMILES for 1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene is COc1ccc(C(c2ccccc2)(c2ccc(C(C)(C)C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)C(C)C)cc1.

What is the InChIKey of 1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene?

The InChIKey is SVCRZJGOJXVKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H44O/c1-34(2)44(36-18-10-6-11-19-36,38-30-32-42(46-5)33-31-38)37-28-26-35(27-29-37)43(3,4)45(39-20-12-7-13-21-39,40-22-14-8-15-23-40)41-24-16-9-17-25-41/h6-34H,1-5H3.

What are the key properties of 1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene?

1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene has a molecular weight of 600.85 g/mol, XLogP of 11.00, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene is sourced from PubChem (CID 155021469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).