2,6-bis(cyclohexylmethyliminomethyl)-4-methylphenol

C23H34N2O — CID 136510603

IUPAC2,6-bis(cyclohexylmethyliminomethyl)-4-methylphenol
SMILESCc1cc(/C=N/CC2CCCCC2)c(O)c(/C=N/CC2CCCCC2)c1
InChIInChI=1S/C23H34N2O/c1-18-12-21(16-24-14-19-8-4-2-5-9-19)23(26)22(13-18)17-25-15-20-10-6-3-7-11-20/h12-13,16-17,19-20,26H,2-11,14-15H2,1H3/b24-16+,25-17+
InChIKeyZWFXXGZMSOFONZ-MUPYBJATSA-N
MW354.54 g/mol
LogP5.70
Rot. Bonds6

About 2,6-bis(cyclohexylmethyliminomethyl)-4-methylphenol

2,6-bis(cyclohexylmethyliminomethyl)-4-methylphenol (PubChem CID 136510603) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 2,6-bis(cyclohexylmethyliminomethyl)-4-methylphenol.

Molecular Properties

Compound Name2,6-bis(cyclohexylmethyliminomethyl)-4-methylphenol
PubChem CID136510603
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name2,6-bis(cyclohexylmethyliminomethyl)-4-methylphenol
SMILESCc1cc(/C=N/CC2CCCCC2)c(O)c(/C=N/CC2CCCCC2)c1
InChIInChI=1S/C23H34N2O/c1-18-12-21(16-24-14-19-8-4-2-5-9-19)23(26)22(13-18)17-25-15-20-10-6-3-7-11-20/h12-13,16-17,19-20,26H,2-11,14-15H2,1H3/b24-16+,25-17+
InChIKeyZWFXXGZMSOFONZ-MUPYBJATSA-N
XLogP5.70
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(cyclohexylmethyliminomethyl)-4-methylphenol?
The IUPAC name of 2,6-bis(cyclohexylmethyliminomethyl)-4-methylphenol (CID 136510603) is 2,6-bis(cyclohexylmethyliminomethyl)-4-methylphenol.
What is the SMILES notation for 2,6-bis(cyclohexylmethyliminomethyl)-4-methylphenol?
The canonical SMILES for 2,6-bis(cyclohexylmethyliminomethyl)-4-methylphenol is Cc1cc(/C=N/CC2CCCCC2)c(O)c(/C=N/CC2CCCCC2)c1.
What is the InChIKey of 2,6-bis(cyclohexylmethyliminomethyl)-4-methylphenol?
The InChIKey is ZWFXXGZMSOFONZ-MUPYBJATSA-N. The full InChI is InChI=1S/C23H34N2O/c1-18-12-21(16-24-14-19-8-4-2-5-9-19)23(26)22(13-18)17-25-15-20-10-6-3-7-11-20/h12-13,16-17,19-20,26H,2-11,14-15H2,1H3/b24-16+,25-17+.
What are the key properties of 2,6-bis(cyclohexylmethyliminomethyl)-4-methylphenol?
2,6-bis(cyclohexylmethyliminomethyl)-4-methylphenol has a molecular weight of 354.54 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(cyclohexylmethyliminomethyl)-4-methylphenol is sourced from PubChem (CID 136510603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).