2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol

C20H24N2O2 — CID 20014

IUPAC2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol
SMILESOc1ccccc1C/N=C/CCCC/C=N/Cc1ccccc1O
InChIInChI=1S/C20H24N2O2/c23-19-11-5-3-9-17(19)15-21-13-7-1-2-8-14-22-16-18-10-4-6-12-20(18)24/h3-6,9-14,23-24H,1-2,7-8,15-16H2/b21-13+,22-14+
InChIKeyCRGRLOKWPRTHCA-JFMUQQRKSA-N
MW324.42 g/mol
LogP4.50
Rot. Bonds9

About 2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol

2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol (PubChem CID 20014) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol.

Molecular Properties

Compound Name2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol
PubChem CID20014
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol
SMILESOc1ccccc1C/N=C/CCCC/C=N/Cc1ccccc1O
InChIInChI=1S/C20H24N2O2/c23-19-11-5-3-9-17(19)15-21-13-7-1-2-8-14-22-16-18-10-4-6-12-20(18)24/h3-6,9-14,23-24H,1-2,7-8,15-16H2/b21-13+,22-14+
InChIKeyCRGRLOKWPRTHCA-JFMUQQRKSA-N
XLogP4.50
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol?
The IUPAC name of 2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol (CID 20014) is 2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol.
What is the SMILES notation for 2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol?
The canonical SMILES for 2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol is Oc1ccccc1C/N=C/CCCC/C=N/Cc1ccccc1O.
What is the InChIKey of 2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol?
The InChIKey is CRGRLOKWPRTHCA-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-19-11-5-3-9-17(19)15-21-13-7-1-2-8-14-22-16-18-10-4-6-12-20(18)24/h3-6,9-14,23-24H,1-2,7-8,15-16H2/b21-13+,22-14+.
What are the key properties of 2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol?
2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol has a molecular weight of 324.42 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol is sourced from PubChem (CID 20014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).