2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol

C25H31NO — CID 137225896

IUPAC2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1c(C2CCCCC2)cccc1C1CCCCC1
InChIInChI=1S/C25H31NO/c27-24-17-8-7-14-21(24)18-26-25-22(19-10-3-1-4-11-19)15-9-16-23(25)20-12-5-2-6-13-20/h7-9,14-20,27H,1-6,10-13H2/b26-18+
InChIKeyVGMBCDMWNXYJSO-NLRVBDNBSA-N
MW361.53 g/mol
LogP7.24
Rot. Bonds4

About 2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol

2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol (PubChem CID 137225896) has the molecular formula C25H31NO and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol
PubChem CID137225896
Molecular FormulaC25H31NO
Molecular Weight361.53 g/mol
Exact Mass361.24
IUPAC Name2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1c(C2CCCCC2)cccc1C1CCCCC1
InChIInChI=1S/C25H31NO/c27-24-17-8-7-14-21(24)18-26-25-22(19-10-3-1-4-11-19)15-9-16-23(25)20-12-5-2-6-13-20/h7-9,14-20,27H,1-6,10-13H2/b26-18+
InChIKeyVGMBCDMWNXYJSO-NLRVBDNBSA-N
XLogP7.24
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol
CID 137225880
N-(2,6-dicyclohexylphenyl)-1-[6-[(2,6-dicyclohexylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride
CID 173242929
2-cyclododecylphenol
CID 22381643
N-(2,6-dicyclohexylphenyl)-1-[6-[(2,6-dicyclohexylphenyl)iminomethyl]-4-methyl-2-pyridinyl]methanimine;iron(2+);dichloride
CID 70012445
1-[4-chloro-6-[(2,6-dicyclohexylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dicyclohexylphenyl)methanimine;iron(2+);dichloride
CID 70012593
2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 135987838
2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
CID 584429
copper;2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 135501676
N-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
CID 167424007
2-cyclodecylbenzaldehyde
CID 142358507
2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid
CID 174908564
2-(cyclopropyliminomethyl)phenol
CID 5242286

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol?
The IUPAC name of 2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol (CID 137225896) is 2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol?
The canonical SMILES for 2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol is Oc1ccccc1/C=N/c1c(C2CCCCC2)cccc1C1CCCCC1.
What is the InChIKey of 2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol?
The InChIKey is VGMBCDMWNXYJSO-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H31NO/c27-24-17-8-7-14-21(24)18-26-25-22(19-10-3-1-4-11-19)15-9-16-23(25)20-12-5-2-6-13-20/h7-9,14-20,27H,1-6,10-13H2/b26-18+.
What are the key properties of 2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol?
2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol has a molecular weight of 361.53 g/mol, XLogP of 7.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol is sourced from PubChem (CID 137225896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).