4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol

C22H28N2O4 — CID 136828234

IUPAC4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/CCCCCC/N=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C22H28N2O4/c1-27-21-13-17(7-9-19(21)25)15-23-11-5-3-4-6-12-24-16-18-8-10-20(26)22(14-18)28-2/h7-10,13-16,25-26H,3-6,11-12H2,1-2H3/b23-15+,24-16+
InChIKeyDEJSFAAYXQZLPQ-DFEHQXHXSA-N
MW384.48 g/mol
LogP4.21
Rot. Bonds11

About 4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol

4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol (PubChem CID 136828234) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol
PubChem CID136828234
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/CCCCCC/N=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C22H28N2O4/c1-27-21-13-17(7-9-19(21)25)15-23-11-5-3-4-6-12-24-16-18-8-10-20(26)22(14-18)28-2/h7-10,13-16,25-26H,3-6,11-12H2,1-2H3/b23-15+,24-16+
InChIKeyDEJSFAAYXQZLPQ-DFEHQXHXSA-N
XLogP4.21
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.21
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'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine
CID 3094006
N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide
CID 3365484
[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide
CID 135534535
3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine
CID 70090398
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
2-methoxy-4-[2-(3-methylimidazol-3-ium-1-yl)ethyliminomethyl]phenol hexafluorophosphate
CID 139076706
8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135757722
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
4-[(2,4-dimethylphenyl)iminomethyl]-2-methoxyphenol
CID 693352
2-methoxy-4-[(E)-phenylmethoxyiminomethyl]phenol
CID 136913659
2-methoxy-4-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yliminomethyl)phenol
CID 2018872

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol?
The IUPAC name of 4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol (CID 136828234) is 4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol?
The canonical SMILES for 4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol is COc1cc(/C=N/CCCCCC/N=C/c2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of 4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol?
The InChIKey is DEJSFAAYXQZLPQ-DFEHQXHXSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-27-21-13-17(7-9-19(21)25)15-23-11-5-3-4-6-12-24-16-18-8-10-20(26)22(14-18)28-2/h7-10,13-16,25-26H,3-6,11-12H2,1-2H3/b23-15+,24-16+.
What are the key properties of 4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol?
4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol has a molecular weight of 384.48 g/mol, XLogP of 4.21, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol is sourced from PubChem (CID 136828234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).