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

C22H28N2O4 — CID 136851289

IUPAC2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCCCCC/N=C/c2cccc(OC)c2O)c1O
InChIInChI=1S/C22H28N2O4/c1-27-19-11-7-9-17(21(19)25)15-23-13-5-3-4-6-14-24-16-18-10-8-12-20(28-2)22(18)26/h7-12,15-16,25-26H,3-6,13-14H2,1-2H3/b23-15+,24-16+
InChIKeyJTVFUCUCWHWLHD-DFEHQXHXSA-N
MW384.48 g/mol
LogP4.21
Rot. Bonds11

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

2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol (PubChem CID 136851289) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
PubChem CID136851289
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCCCCC/N=C/c2cccc(OC)c2O)c1O
InChIInChI=1S/C22H28N2O4/c1-27-19-11-7-9-17(21(19)25)15-23-13-5-3-4-6-14-24-16-18-10-8-12-20(28-2)22(18)26/h7-12,15-16,25-26H,3-6,13-14H2,1-2H3/b23-15+,24-16+
InChIKeyJTVFUCUCWHWLHD-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

2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
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-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 135730678
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
CID 135757817
2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol
CID 135847622
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol
CID 135855450
2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol
CID 135829051

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol (CID 136851289) is 2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol is COc1cccc(/C=N/CCCCCC/N=C/c2cccc(OC)c2O)c1O.
What is the InChIKey of 2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol?
The InChIKey is JTVFUCUCWHWLHD-DFEHQXHXSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-27-19-11-7-9-17(21(19)25)15-23-13-5-3-4-6-14-24-16-18-10-8-12-20(28-2)22(18)26/h7-12,15-16,25-26H,3-6,13-14H2,1-2H3/b23-15+,24-16+.
What are the key properties of 2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol?
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-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 2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol is sourced from PubChem (CID 136851289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).