5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol

C26H36N2O4 — CID 136897173

IUPAC5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
SMILESCCCCCCOc1ccc(/C=N\N=C/c2ccc(OCCCCCC)cc2O)c(O)c1
InChIInChI=1S/C26H36N2O4/c1-3-5-7-9-15-31-23-13-11-21(25(29)17-23)19-27-28-20-22-12-14-24(18-26(22)30)32-16-10-8-6-4-2/h11-14,17-20,29-30H,3-10,15-16H2,1-2H3/b27-19-,28-20-
InChIKeyMOIWEMXEOCCSMZ-RSSRHXQMSA-N
MW440.58 g/mol
LogP6.47
Rot. Bonds15

About 5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol

5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol (PubChem CID 136897173) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
PubChem CID136897173
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
SMILESCCCCCCOc1ccc(/C=N\N=C/c2ccc(OCCCCCC)cc2O)c(O)c1
InChIInChI=1S/C26H36N2O4/c1-3-5-7-9-15-31-23-13-11-21(25(29)17-23)19-27-28-20-22-12-14-24(18-26(22)30)32-16-10-8-6-4-2/h11-14,17-20,29-30H,3-10,15-16H2,1-2H3/b27-19-,28-20-
InChIKeyMOIWEMXEOCCSMZ-RSSRHXQMSA-N
XLogP6.47
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nonadecoxy-2-(octadecyliminomethyl)phenol
CID 136694995
2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol
CID 136826625
5-hexoxy-2-(hexyliminomethyl)phenol
CID 136673235
2-[[4-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]phenyl]iminomethyl]-5-octadecoxyphenol
CID 136722312
2-(octadecyliminomethyl)-5-undecoxyphenol
CID 136694989
2-[(4-hexoxyphenyl)iminomethyl]-5-octoxyphenol
CID 136805582
2-[[4-[11-[4-[(2-hydroxy-4-octoxyphenyl)methylideneamino]phenoxy]undecoxy]phenyl]iminomethyl]-5-octoxyphenol
CID 136872509
2-[(4-octoxyphenyl)iminomethyl]-5-pentoxyphenol
CID 136805594
5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol
CID 136863779
5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol
CID 136701680
5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol
CID 136798789
4-hexoxy-2-hydroxybenzaldehyde
CID 13147236

Frequently Asked Questions

What is the IUPAC name of 5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The IUPAC name of 5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol (CID 136897173) is 5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol.
What is the SMILES notation for 5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The canonical SMILES for 5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol is CCCCCCOc1ccc(/C=N\N=C/c2ccc(OCCCCCC)cc2O)c(O)c1.
What is the InChIKey of 5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The InChIKey is MOIWEMXEOCCSMZ-RSSRHXQMSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-3-5-7-9-15-31-23-13-11-21(25(29)17-23)19-27-28-20-22-12-14-24(18-26(22)30)32-16-10-8-6-4-2/h11-14,17-20,29-30H,3-10,15-16H2,1-2H3/b27-19-,28-20-.
What are the key properties of 5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol has a molecular weight of 440.58 g/mol, XLogP of 6.47, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol is sourced from PubChem (CID 136897173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).