2-[4,5-dimethoxy-2-tri(propan-2-yl)silyloxyphenyl]-6-methoxy-4-methylphenol

C25H38O5Si — CID 132542220

About 2-[4,5-dimethoxy-2-tri(propan-2-yl)silyloxyphenyl]-6-methoxy-4-methylphenol

2-[4,5-dimethoxy-2-tri(propan-2-yl)silyloxyphenyl]-6-methoxy-4-methylphenol (PubChem CID 132542220) has the molecular formula C25H38O5Si and a molecular weight of 446.66 g/mol. Its IUPAC name is 2-[4,5-dimethoxy-2-tri(propan-2-yl)silyloxyphenyl]-6-methoxy-4-methylphenol.

Molecular Properties

• Compound Name: 2-[4,5-dimethoxy-2-tri(propan-2-yl)silyloxyphenyl]-6-methoxy-4-methylphenol
• PubChem CID: 132542220
• Molecular Formula: C25H38O5Si
• Molecular Weight: 446.66 g/mol
• Exact Mass: 446.25
• IUPAC Name: 2-[4,5-dimethoxy-2-tri(propan-2-yl)silyloxyphenyl]-6-methoxy-4-methylphenol
• SMILES: COc1cc(O[Si](C(C)C)(C(C)C)C(C)C)c(-c2cc(C)cc(OC)c2O)cc1OC
• InChI: InChI=1S/C25H38O5Si/c1-15(2)31(16(3)4,17(5)6)30-21-14-23(28-9)22(27-8)13-19(21)20-11-18(7)12-24(29-10)25(20)26/h11-17,26H,1-10H3
• InChIKey: FZQDDKVMZBXEIA-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.66
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	1
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-[4,5-dimethoxy-2-tri(propan-2-yl)silyloxyphenyl]-6-methoxy-4-methylphenol?

The IUPAC name of 2-[4,5-dimethoxy-2-tri(propan-2-yl)silyloxyphenyl]-6-methoxy-4-methylphenol (CID 132542220) is 2-[4,5-dimethoxy-2-tri(propan-2-yl)silyloxyphenyl]-6-methoxy-4-methylphenol.

What is the SMILES notation for 2-[4,5-dimethoxy-2-tri(propan-2-yl)silyloxyphenyl]-6-methoxy-4-methylphenol?

The canonical SMILES for 2-[4,5-dimethoxy-2-tri(propan-2-yl)silyloxyphenyl]-6-methoxy-4-methylphenol is COc1cc(O[Si](C(C)C)(C(C)C)C(C)C)c(-c2cc(C)cc(OC)c2O)cc1OC.

What is the InChIKey of 2-[4,5-dimethoxy-2-tri(propan-2-yl)silyloxyphenyl]-6-methoxy-4-methylphenol?

The InChIKey is FZQDDKVMZBXEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O5Si/c1-15(2)31(16(3)4,17(5)6)30-21-14-23(28-9)22(27-8)13-19(21)20-11-18(7)12-24(29-10)25(20)26/h11-17,26H,1-10H3.

What are the key properties of 2-[4,5-dimethoxy-2-tri(propan-2-yl)silyloxyphenyl]-6-methoxy-4-methylphenol?

2-[4,5-dimethoxy-2-tri(propan-2-yl)silyloxyphenyl]-6-methoxy-4-methylphenol has a molecular weight of 446.66 g/mol, XLogP of 6.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,5-dimethoxy-2-tri(propan-2-yl)silyloxyphenyl]-6-methoxy-4-methylphenol is sourced from PubChem (CID 132542220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).