2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol

C60H104N2O4 — CID 136826625

IUPAC2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol
SMILESCCCCCCCCCCCCCCCCCCOc1ccc(/C=N/CCCCCCCCCC/N=C/c2ccc(OCCCCCCCCCCCCCCCCCC)cc2O)c(O)c1
InChIInChI=1S/C60H104N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-37-41-49-65-57-45-43-55(59(63)51-57)53-61-47-39-35-31-27-28-32-36-40-48-62-54-56-44-46-58(52-60(56)64)66-50-42-38-34-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-46,51-54,63-64H,3-42,47-50H2,1-2H3/b61-53+,62-54+
InChIKeyAUZMHNBTNGEWMN-GWSRDVAUSA-N
MW917.50 g/mol
LogP19.04
Rot. Bonds49

About 2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol

2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol (PubChem CID 136826625) has the molecular formula C60H104N2O4 and a molecular weight of 917.50 g/mol. Its IUPAC name is 2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol.

Molecular Properties

Compound Name2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol
PubChem CID136826625
Molecular FormulaC60H104N2O4
Molecular Weight917.50 g/mol
Exact Mass916.80
IUPAC Name2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol
SMILESCCCCCCCCCCCCCCCCCCOc1ccc(/C=N/CCCCCCCCCC/N=C/c2ccc(OCCCCCCCCCCCCCCCCCC)cc2O)c(O)c1
InChIInChI=1S/C60H104N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-37-41-49-65-57-45-43-55(59(63)51-57)53-61-47-39-35-31-27-28-32-36-40-48-62-54-56-44-46-58(52-60(56)64)66-50-42-38-34-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-46,51-54,63-64H,3-42,47-50H2,1-2H3/b61-53+,62-54+
InChIKeyAUZMHNBTNGEWMN-GWSRDVAUSA-N
XLogP19.04
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds49
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.50
LogP ≤ 519.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol with MolForge

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Related Compounds

5-nonadecoxy-2-(octadecyliminomethyl)phenol
CID 136694995
5-hexoxy-2-(hexyliminomethyl)phenol
CID 136673235
2-(octadecyliminomethyl)-5-undecoxyphenol
CID 136694989
5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol
CID 136701680
5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol
CID 136798789
5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol
CID 136863779
2-[2-[bis[2-[(4-dodecoxy-2-hydroxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-5-dodecoxyphenol
CID 136857743
4-[4-[10-[4-(decyliminomethyl)-3-hydroxyphenoxy]decoxy]phenyl]benzonitrile
CID 136746193
5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 136897173
5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 136808055
5-dodecoxy-2-(2-phenylethyliminomethyl)phenol
CID 139071672
[4-(heptyliminomethyl)-3-hydroxyphenyl] 4-decoxybenzoate
CID 136721038

Frequently Asked Questions

What is the IUPAC name of 2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol?
The IUPAC name of 2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol (CID 136826625) is 2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol.
What is the SMILES notation for 2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol?
The canonical SMILES for 2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol is CCCCCCCCCCCCCCCCCCOc1ccc(/C=N/CCCCCCCCCC/N=C/c2ccc(OCCCCCCCCCCCCCCCCCC)cc2O)c(O)c1.
What is the InChIKey of 2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol?
The InChIKey is AUZMHNBTNGEWMN-GWSRDVAUSA-N. The full InChI is InChI=1S/C60H104N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-37-41-49-65-57-45-43-55(59(63)51-57)53-61-47-39-35-31-27-28-32-36-40-48-62-54-56-44-46-58(52-60(56)64)66-50-42-38-34-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-46,51-54,63-64H,3-42,47-50H2,1-2H3/b61-53+,62-54+.
What are the key properties of 2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol?
2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol has a molecular weight of 917.50 g/mol, XLogP of 19.04, 49 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol is sourced from PubChem (CID 136826625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).