2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol

C60H96N4O21 — CID 135438085

IUPAC2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol
SMILESCOCCOCCOCCOCCOCCOc1cccc(/C=N/CCN(CC/N=C/c2cccc(OCCOCCOCCOCCOCCOC)c2O)CC/N=C/c2cccc(OCCOCCOCCOCCOCCOC)c2O)c1O
InChIInChI=1S/C60H96N4O21/c1-68-19-22-71-25-28-74-31-34-77-37-40-80-43-46-83-55-10-4-7-52(58(55)65)49-61-13-16-64(17-14-62-50-53-8-5-11-56(59(53)66)84-47-44-81-41-38-78-35-32-75-29-26-72-23-20-69-2)18-15-63-51-54-9-6-12-57(60(54)67)85-48-45-82-42-39-79-36-33-76-30-27-73-24-21-70-3/h4-12,49-51,65-67H,13-48H2,1-3H3/b61-49+,62-50+,63-51+
InChIKeyPOWCWIWDRUMLET-SRNVCASMSA-N
MW1209.43 g/mol
LogP4.04
Rot. Bonds60

About 2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol

2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol (PubChem CID 135438085) has the molecular formula C60H96N4O21 and a molecular weight of 1209.43 g/mol. Its IUPAC name is 2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol.

Molecular Properties

Compound Name2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol
PubChem CID135438085
Molecular FormulaC60H96N4O21
Molecular Weight1209.43 g/mol
Exact Mass1208.66
IUPAC Name2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol
SMILESCOCCOCCOCCOCCOCCOc1cccc(/C=N/CCN(CC/N=C/c2cccc(OCCOCCOCCOCCOCCOC)c2O)CC/N=C/c2cccc(OCCOCCOCCOCCOCCOC)c2O)c1O
InChIInChI=1S/C60H96N4O21/c1-68-19-22-71-25-28-74-31-34-77-37-40-80-43-46-83-55-10-4-7-52(58(55)65)49-61-13-16-64(17-14-62-50-53-8-5-11-56(59(53)66)84-47-44-81-41-38-78-35-32-75-29-26-72-23-20-69-2)18-15-63-51-54-9-6-12-57(60(54)67)85-48-45-82-42-39-79-36-33-76-30-27-73-24-21-70-3/h4-12,49-51,65-67H,13-48H2,1-3H3/b61-49+,62-50+,63-51+
InChIKeyPOWCWIWDRUMLET-SRNVCASMSA-N
XLogP4.04
TPSA267.15 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds60
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001209.43
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol with MolForge

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Related Compounds

2-[2-[2-[2-[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethylamino]ethylamino]ethylamino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol
CID 135475453
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol
CID 136908274
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-[2-[[2-hydroxy-3-methoxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]methylideneamino]ethyliminomethyl]-6-methoxy-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenol;manganese(2+);chloride
CID 135889343
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323
2,6-bis[3-(dimethylamino)propyliminomethyl]phenol
CID 136704302
methyl 2-hydroxy-3-[2-[2-[2-(2-hydroxy-3-methoxycarbonylphenoxy)ethoxy]ethoxy]ethoxy]benzoate
CID 100926239

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol?
The IUPAC name of 2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol (CID 135438085) is 2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol.
What is the SMILES notation for 2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol?
The canonical SMILES for 2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol is COCCOCCOCCOCCOCCOc1cccc(/C=N/CCN(CC/N=C/c2cccc(OCCOCCOCCOCCOCCOC)c2O)CC/N=C/c2cccc(OCCOCCOCCOCCOCCOC)c2O)c1O.
What is the InChIKey of 2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol?
The InChIKey is POWCWIWDRUMLET-SRNVCASMSA-N. The full InChI is InChI=1S/C60H96N4O21/c1-68-19-22-71-25-28-74-31-34-77-37-40-80-43-46-83-55-10-4-7-52(58(55)65)49-61-13-16-64(17-14-62-50-53-8-5-11-56(59(53)66)84-47-44-81-41-38-78-35-32-75-29-26-72-23-20-69-2)18-15-63-51-54-9-6-12-57(60(54)67)85-48-45-82-42-39-79-36-33-76-30-27-73-24-21-70-3/h4-12,49-51,65-67H,13-48H2,1-3H3/b61-49+,62-50+,63-51+.
What are the key properties of 2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol?
2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol has a molecular weight of 1209.43 g/mol, XLogP of 4.04, 60 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol is sourced from PubChem (CID 135438085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).