3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol

C56H50O9 — CID 101175071

IUPAC3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
SMILESOCc1cc(OCc2ccccc2)cc(OCc2cc(OCc3ccccc3)cc(OCc3cc(OCc4ccccc4)cc(OCc4cc(O)cc(OCc5ccccc5)c4)c3)c2)c1
InChIInChI=1S/C56H50O9/c57-33-45-22-51(60-35-42-15-7-2-8-16-42)30-52(23-45)64-39-47-25-54(62-37-44-19-11-4-12-20-44)32-56(28-47)65-40-48-26-53(61-36-43-17-9-3-10-18-43)31-55(27-48)63-38-46-21-49(58)29-50(24-46)59-34-41-13-5-1-6-14-41/h1-32,57-58H,33-40H2
InChIKeyDTLMPILYCPGIIG-UHFFFAOYSA-N
MW867.01 g/mol
LogP11.94
Rot. Bonds22

About 3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol

3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol (PubChem CID 101175071) has the molecular formula C56H50O9 and a molecular weight of 867.01 g/mol. Its IUPAC name is 3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol.

Molecular Properties

Compound Name3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
PubChem CID101175071
Molecular FormulaC56H50O9
Molecular Weight867.01 g/mol
Exact Mass866.35
IUPAC Name3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
SMILESOCc1cc(OCc2ccccc2)cc(OCc2cc(OCc3ccccc3)cc(OCc3cc(OCc4ccccc4)cc(OCc4cc(O)cc(OCc5ccccc5)c4)c3)c2)c1
InChIInChI=1S/C56H50O9/c57-33-45-22-51(60-35-42-15-7-2-8-16-42)30-52(23-45)64-39-47-25-54(62-37-44-19-11-4-12-20-44)32-56(28-47)65-40-48-26-53(61-36-43-17-9-3-10-18-43)31-55(27-48)63-38-46-21-49(58)29-50(24-46)59-34-41-13-5-1-6-14-41/h1-32,57-58H,33-40H2
InChIKeyDTLMPILYCPGIIG-UHFFFAOYSA-N
XLogP11.94
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.01
LogP ≤ 511.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol?
The IUPAC name of 3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol (CID 101175071) is 3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol.
What is the SMILES notation for 3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol?
The canonical SMILES for 3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol is OCc1cc(OCc2ccccc2)cc(OCc2cc(OCc3ccccc3)cc(OCc3cc(OCc4ccccc4)cc(OCc4cc(O)cc(OCc5ccccc5)c4)c3)c2)c1.
What is the InChIKey of 3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol?
The InChIKey is DTLMPILYCPGIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50O9/c57-33-45-22-51(60-35-42-15-7-2-8-16-42)30-52(23-45)64-39-47-25-54(62-37-44-19-11-4-12-20-44)32-56(28-47)65-40-48-26-53(61-36-43-17-9-3-10-18-43)31-55(27-48)63-38-46-21-49(58)29-50(24-46)59-34-41-13-5-1-6-14-41/h1-32,57-58H,33-40H2.
What are the key properties of 3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol?
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol has a molecular weight of 867.01 g/mol, XLogP of 11.94, 22 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol is sourced from PubChem (CID 101175071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).