4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol

C24H38O5Si2 — CID 59163577

About 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol

4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol (PubChem CID 59163577) has the molecular formula C24H38O5Si2 and a molecular weight of 462.74 g/mol. Its IUPAC name is 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol.

Molecular Properties

• Compound Name: 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol
• PubChem CID: 59163577
• Molecular Formula: C24H38O5Si2
• Molecular Weight: 462.74 g/mol
• Exact Mass: 462.23
• IUPAC Name: 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol
• SMILES: COc1cc(CCC[Si](C)(C)O[Si](C)(C)CCCc2ccc(O)c(CO)c2)ccc1O
• InChI: InChI=1S/C24H38O5Si2/c1-28-24-17-20(11-13-23(24)27)9-7-15-31(4,5)29-30(2,3)14-6-8-19-10-12-22(26)21(16-19)18-25/h10-13,16-17,25-27H,6-9,14-15,18H2,1-5H3
• InChIKey: QPOOSIBQVRSWEP-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 79.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.74
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	3
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 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol?

The IUPAC name of 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol (CID 59163577) is 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol.

What is the SMILES notation for 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol?

The canonical SMILES for 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol is COc1cc(CCC[Si](C)(C)O[Si](C)(C)CCCc2ccc(O)c(CO)c2)ccc1O.

What is the InChIKey of 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol?

The InChIKey is QPOOSIBQVRSWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O5Si2/c1-28-24-17-20(11-13-23(24)27)9-7-15-31(4,5)29-30(2,3)14-6-8-19-10-12-22(26)21(16-19)18-25/h10-13,16-17,25-27H,6-9,14-15,18H2,1-5H3.

What are the key properties of 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol?

4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol has a molecular weight of 462.74 g/mol, XLogP of 5.59, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol is sourced from PubChem (CID 59163577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).