2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-triethylsilyloxymethyl]phenyl]-2-methylpropan-1-one

C27H38O5Si — CID 69038350

About 2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-triethylsilyloxymethyl]phenyl]-2-methylpropan-1-one

2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-triethylsilyloxymethyl]phenyl]-2-methylpropan-1-one (PubChem CID 69038350) has the molecular formula C27H38O5Si and a molecular weight of 470.68 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-triethylsilyloxymethyl]phenyl]-2-methylpropan-1-one.

Molecular Properties

• Compound Name: 2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-triethylsilyloxymethyl]phenyl]-2-methylpropan-1-one
• PubChem CID: 69038350
• Molecular Formula: C27H38O5Si
• Molecular Weight: 470.68 g/mol
• Exact Mass: 470.25
• IUPAC Name: 2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-triethylsilyloxymethyl]phenyl]-2-methylpropan-1-one
• SMILES: CC[Si](CC)(CC)OC(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1
• InChI: InChI=1S/C27H38O5Si/c1-8-33(9-2,10-3)32-23(19-11-15-21(16-12-19)24(28)26(4,5)30)20-13-17-22(18-14-20)25(29)27(6,7)31/h11-18,23,30-31H,8-10H2,1-7H3
• InChIKey: HHBQKIIJFPJXSJ-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 83.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.68
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-triethylsilyloxymethyl]phenyl]-2-methylpropan-1-one?

The IUPAC name of 2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-triethylsilyloxymethyl]phenyl]-2-methylpropan-1-one (CID 69038350) is 2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-triethylsilyloxymethyl]phenyl]-2-methylpropan-1-one.

What is the SMILES notation for 2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-triethylsilyloxymethyl]phenyl]-2-methylpropan-1-one?

The canonical SMILES for 2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-triethylsilyloxymethyl]phenyl]-2-methylpropan-1-one is CC[Si](CC)(CC)OC(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1.

What is the InChIKey of 2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-triethylsilyloxymethyl]phenyl]-2-methylpropan-1-one?

The InChIKey is HHBQKIIJFPJXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O5Si/c1-8-33(9-2,10-3)32-23(19-11-15-21(16-12-19)24(28)26(4,5)30)20-13-17-22(18-14-20)25(29)27(6,7)31/h11-18,23,30-31H,8-10H2,1-7H3.

What are the key properties of 2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-triethylsilyloxymethyl]phenyl]-2-methylpropan-1-one?

2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-triethylsilyloxymethyl]phenyl]-2-methylpropan-1-one has a molecular weight of 470.68 g/mol, XLogP of 5.70, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-triethylsilyloxymethyl]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 69038350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).