2-[4,5-dimethoxy-2-[5-(methoxymethoxy)-4-phenylmethoxy-2-[2-tri(propan-2-yl)silyloxyethyl]phenyl]phenyl]ethanol

C36H52O7Si — CID 11192913

About 2-[4,5-dimethoxy-2-[5-(methoxymethoxy)-4-phenylmethoxy-2-[2-tri(propan-2-yl)silyloxyethyl]phenyl]phenyl]ethanol

2-[4,5-dimethoxy-2-[5-(methoxymethoxy)-4-phenylmethoxy-2-[2-tri(propan-2-yl)silyloxyethyl]phenyl]phenyl]ethanol (PubChem CID 11192913) has the molecular formula C36H52O7Si and a molecular weight of 624.89 g/mol. Its IUPAC name is 2-[4,5-dimethoxy-2-[5-(methoxymethoxy)-4-phenylmethoxy-2-[2-tri(propan-2-yl)silyloxyethyl]phenyl]phenyl]ethanol.

Molecular Properties

• Compound Name: 2-[4,5-dimethoxy-2-[5-(methoxymethoxy)-4-phenylmethoxy-2-[2-tri(propan-2-yl)silyloxyethyl]phenyl]phenyl]ethanol
• PubChem CID: 11192913
• Molecular Formula: C36H52O7Si
• Molecular Weight: 624.89 g/mol
• Exact Mass: 624.35
• IUPAC Name: 2-[4,5-dimethoxy-2-[5-(methoxymethoxy)-4-phenylmethoxy-2-[2-tri(propan-2-yl)silyloxyethyl]phenyl]phenyl]ethanol
• SMILES: COCOc1cc(-c2cc(OC)c(OC)cc2CCO)c(CCO[Si](C(C)C)(C(C)C)C(C)C)cc1OCc1ccccc1
• InChI: InChI=1S/C36H52O7Si/c1-25(2)44(26(3)4,27(5)6)43-18-16-30-20-35(41-23-28-13-11-10-12-14-28)36(42-24-38-7)22-32(30)31-21-34(40-9)33(39-8)19-29(31)15-17-37/h10-14,19-22,25-27,37H,15-18,23-24H2,1-9H3
• InChIKey: ZNWQPLXNRCAXJP-UHFFFAOYSA-N
• XLogP: 8.20
• TPSA: 75.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.89
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethoxy-2-[5-(methoxymethoxy)-4-phenylmethoxy-2-[2-tri(propan-2-yl)silyloxyethyl]phenyl]phenyl]ethanol?

The IUPAC name of 2-[4,5-dimethoxy-2-[5-(methoxymethoxy)-4-phenylmethoxy-2-[2-tri(propan-2-yl)silyloxyethyl]phenyl]phenyl]ethanol (CID 11192913) is 2-[4,5-dimethoxy-2-[5-(methoxymethoxy)-4-phenylmethoxy-2-[2-tri(propan-2-yl)silyloxyethyl]phenyl]phenyl]ethanol.

What is the SMILES notation for 2-[4,5-dimethoxy-2-[5-(methoxymethoxy)-4-phenylmethoxy-2-[2-tri(propan-2-yl)silyloxyethyl]phenyl]phenyl]ethanol?

The canonical SMILES for 2-[4,5-dimethoxy-2-[5-(methoxymethoxy)-4-phenylmethoxy-2-[2-tri(propan-2-yl)silyloxyethyl]phenyl]phenyl]ethanol is COCOc1cc(-c2cc(OC)c(OC)cc2CCO)c(CCO[Si](C(C)C)(C(C)C)C(C)C)cc1OCc1ccccc1.

What is the InChIKey of 2-[4,5-dimethoxy-2-[5-(methoxymethoxy)-4-phenylmethoxy-2-[2-tri(propan-2-yl)silyloxyethyl]phenyl]phenyl]ethanol?

The InChIKey is ZNWQPLXNRCAXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H52O7Si/c1-25(2)44(26(3)4,27(5)6)43-18-16-30-20-35(41-23-28-13-11-10-12-14-28)36(42-24-38-7)22-32(30)31-21-34(40-9)33(39-8)19-29(31)15-17-37/h10-14,19-22,25-27,37H,15-18,23-24H2,1-9H3.

What are the key properties of 2-[4,5-dimethoxy-2-[5-(methoxymethoxy)-4-phenylmethoxy-2-[2-tri(propan-2-yl)silyloxyethyl]phenyl]phenyl]ethanol?

2-[4,5-dimethoxy-2-[5-(methoxymethoxy)-4-phenylmethoxy-2-[2-tri(propan-2-yl)silyloxyethyl]phenyl]phenyl]ethanol has a molecular weight of 624.89 g/mol, XLogP of 8.20, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,5-dimethoxy-2-[5-(methoxymethoxy)-4-phenylmethoxy-2-[2-tri(propan-2-yl)silyloxyethyl]phenyl]phenyl]ethanol is sourced from PubChem (CID 11192913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).