3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-6-phenylmethoxy-2-trimethylsilyl-4-[2-tri(propan-2-yl)silyloxyethyl]phenol

C37H56O6Si2 — CID 11411202

About 3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-6-phenylmethoxy-2-trimethylsilyl-4-[2-tri(propan-2-yl)silyloxyethyl]phenol

3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-6-phenylmethoxy-2-trimethylsilyl-4-[2-tri(propan-2-yl)silyloxyethyl]phenol (PubChem CID 11411202) has the molecular formula C37H56O6Si2 and a molecular weight of 653.02 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-6-phenylmethoxy-2-trimethylsilyl-4-[2-tri(propan-2-yl)silyloxyethyl]phenol.

Molecular Properties

• Compound Name: 3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-6-phenylmethoxy-2-trimethylsilyl-4-[2-tri(propan-2-yl)silyloxyethyl]phenol
• PubChem CID: 11411202
• Molecular Formula: C37H56O6Si2
• Molecular Weight: 653.02 g/mol
• Exact Mass: 652.36
• IUPAC Name: 3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-6-phenylmethoxy-2-trimethylsilyl-4-[2-tri(propan-2-yl)silyloxyethyl]phenol
• SMILES: COc1cc(CCO)c(-c2c(CCO[Si](C(C)C)(C(C)C)C(C)C)cc(OCc3ccccc3)c(O)c2[Si](C)(C)C)cc1OC
• InChI: InChI=1S/C37H56O6Si2/c1-25(2)45(26(3)4,27(5)6)43-20-18-30-22-34(42-24-28-15-13-12-14-16-28)36(39)37(44(9,10)11)35(30)31-23-33(41-8)32(40-7)21-29(31)17-19-38/h12-16,21-23,25-27,38-39H,17-20,24H2,1-11H3
• InChIKey: CCGHKBURBUDLSR-UHFFFAOYSA-N
• XLogP: 8.47
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.02
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-6-phenylmethoxy-2-trimethylsilyl-4-[2-tri(propan-2-yl)silyloxyethyl]phenol?

The IUPAC name of 3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-6-phenylmethoxy-2-trimethylsilyl-4-[2-tri(propan-2-yl)silyloxyethyl]phenol (CID 11411202) is 3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-6-phenylmethoxy-2-trimethylsilyl-4-[2-tri(propan-2-yl)silyloxyethyl]phenol.

What is the SMILES notation for 3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-6-phenylmethoxy-2-trimethylsilyl-4-[2-tri(propan-2-yl)silyloxyethyl]phenol?

The canonical SMILES for 3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-6-phenylmethoxy-2-trimethylsilyl-4-[2-tri(propan-2-yl)silyloxyethyl]phenol is COc1cc(CCO)c(-c2c(CCO[Si](C(C)C)(C(C)C)C(C)C)cc(OCc3ccccc3)c(O)c2[Si](C)(C)C)cc1OC.

What is the InChIKey of 3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-6-phenylmethoxy-2-trimethylsilyl-4-[2-tri(propan-2-yl)silyloxyethyl]phenol?

The InChIKey is CCGHKBURBUDLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56O6Si2/c1-25(2)45(26(3)4,27(5)6)43-20-18-30-22-34(42-24-28-15-13-12-14-16-28)36(39)37(44(9,10)11)35(30)31-23-33(41-8)32(40-7)21-29(31)17-19-38/h12-16,21-23,25-27,38-39H,17-20,24H2,1-11H3.

What are the key properties of 3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-6-phenylmethoxy-2-trimethylsilyl-4-[2-tri(propan-2-yl)silyloxyethyl]phenol?

3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-6-phenylmethoxy-2-trimethylsilyl-4-[2-tri(propan-2-yl)silyloxyethyl]phenol has a molecular weight of 653.02 g/mol, XLogP of 8.47, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-6-phenylmethoxy-2-trimethylsilyl-4-[2-tri(propan-2-yl)silyloxyethyl]phenol is sourced from PubChem (CID 11411202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).