4-O-[4-[3-[[[[[[[[[3-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] 1-O-methyl benzene-1,4-dicarboxylate

C47H86O15Si9 — CID 90381254

IUPAC4-O-[4-[3-[[[[[[[[[3-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] 1-O-methyl benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)Oc2ccc(CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc3ccc(O)c(CO)c3)cc2OC)cc1
InChIInChI=1S/C47H86O15Si9/c1-52-45-36-39(26-32-44(45)54-47(51)41-29-27-40(28-30-41)46(50)53-2)24-22-34-64(5,6)56-66(9,10)58-68(13,14)60-70(17,18)62-71(19,20)61-69(15,16)59-67(11,12)57-65(7,8)55-63(3,4)33-21-23-38-25-31-43(49)42(35-38)37-48/h25-32,35-36,48-49H,21-24,33-34,37H2,1-20H3
InChIKeyZSPGLDRQZQUPEN-UHFFFAOYSA-N
MW1143.96 g/mol
LogP11.92
Rot. Bonds29

About 4-O-[4-[3-[[[[[[[[[3-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] 1-O-methyl benzene-1,4-dicarboxylate

4-O-[4-[3-[[[[[[[[[3-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] 1-O-methyl benzene-1,4-dicarboxylate (PubChem CID 90381254) has the molecular formula C47H86O15Si9 and a molecular weight of 1143.96 g/mol. Its IUPAC name is 4-O-[4-[3-[[[[[[[[[3-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] 1-O-methyl benzene-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-[4-[3-[[[[[[[[[3-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] 1-O-methyl benzene-1,4-dicarboxylate
PubChem CID90381254
Molecular FormulaC47H86O15Si9
Molecular Weight1143.96 g/mol
Exact Mass1142.39
IUPAC Name4-O-[4-[3-[[[[[[[[[3-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] 1-O-methyl benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)Oc2ccc(CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc3ccc(O)c(CO)c3)cc2OC)cc1
InChIInChI=1S/C47H86O15Si9/c1-52-45-36-39(26-32-44(45)54-47(51)41-29-27-40(28-30-41)46(50)53-2)24-22-34-64(5,6)56-66(9,10)58-68(13,14)60-70(17,18)62-71(19,20)61-69(15,16)59-67(11,12)57-65(7,8)55-63(3,4)33-21-23-38-25-31-43(49)42(35-38)37-48/h25-32,35-36,48-49H,21-24,33-34,37H2,1-20H3
InChIKeyZSPGLDRQZQUPEN-UHFFFAOYSA-N
XLogP11.92
TPSA176.13 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001143.96
LogP ≤ 511.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-O-[4-[3-[[[[[[[[[3-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] 1-O-methyl benzene-1,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol
CID 167345070
4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol
CID 59163577
[4-[3-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[3-[3-(hydroxymethyl)-4-[4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] methyl carbonate
CID 90247195
4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane
CID 157275960
[5-[3-[[3-(3-methoxy-4-propan-2-yloxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-propan-2-yloxyphenyl]methanol
CID 140768575
dimethylsilyloxy(dimethyl)silane;4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-(hydroxymethyl)-4-prop-2-enylphenol
CID 158146614
[5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol
CID 160591805
2-hydroxy-5-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]benzaldehyde
CID 89476164
methyl 4-[[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]methyl]benzoate
CID 8584099
methyl 4-[2-[5-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxyphenyl]ethyl]benzoate
CID 171933762
methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate
CID 55473296
bis(2,4-dibutylphenyl) benzene-1,4-dicarboxylate
CID 70631476

Frequently Asked Questions

What is the IUPAC name of 4-O-[4-[3-[[[[[[[[[3-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] 1-O-methyl benzene-1,4-dicarboxylate?
The IUPAC name of 4-O-[4-[3-[[[[[[[[[3-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] 1-O-methyl benzene-1,4-dicarboxylate (CID 90381254) is 4-O-[4-[3-[[[[[[[[[3-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] 1-O-methyl benzene-1,4-dicarboxylate.
What is the SMILES notation for 4-O-[4-[3-[[[[[[[[[3-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] 1-O-methyl benzene-1,4-dicarboxylate?
The canonical SMILES for 4-O-[4-[3-[[[[[[[[[3-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] 1-O-methyl benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)Oc2ccc(CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc3ccc(O)c(CO)c3)cc2OC)cc1.
What is the InChIKey of 4-O-[4-[3-[[[[[[[[[3-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] 1-O-methyl benzene-1,4-dicarboxylate?
The InChIKey is ZSPGLDRQZQUPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H86O15Si9/c1-52-45-36-39(26-32-44(45)54-47(51)41-29-27-40(28-30-41)46(50)53-2)24-22-34-64(5,6)56-66(9,10)58-68(13,14)60-70(17,18)62-71(19,20)61-69(15,16)59-67(11,12)57-65(7,8)55-63(3,4)33-21-23-38-25-31-43(49)42(35-38)37-48/h25-32,35-36,48-49H,21-24,33-34,37H2,1-20H3.
What are the key properties of 4-O-[4-[3-[[[[[[[[[3-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] 1-O-methyl benzene-1,4-dicarboxylate?
4-O-[4-[3-[[[[[[[[[3-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] 1-O-methyl benzene-1,4-dicarboxylate has a molecular weight of 1143.96 g/mol, XLogP of 11.92, 29 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[4-[3-[[[[[[[[[3-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenyl] 1-O-methyl benzene-1,4-dicarboxylate is sourced from PubChem (CID 90381254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).