2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol

C22H26N2O2 — CID 159587394

IUPAC2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol
SMILESCc1ccc(/C=N/C2CCCCC2/N=C/c2ccc(C)cc2O)c(O)c1
InChIInChI=1S/C22H26N2O2/c1-15-7-9-17(21(25)11-15)13-23-19-5-3-4-6-20(19)24-14-18-10-8-16(2)12-22(18)26/h7-14,19-20,25-26H,3-6H2,1-2H3/b23-13+,24-14+
InChIKeyNYXNBLWQTLWVJN-RNIAWFEPSA-N
MW350.46 g/mol
LogP4.56
Rot. Bonds4

About 2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol

2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol (PubChem CID 159587394) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol
PubChem CID159587394
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol
SMILESCc1ccc(/C=N/C2CCCCC2/N=C/c2ccc(C)cc2O)c(O)c1
InChIInChI=1S/C22H26N2O2/c1-15-7-9-17(21(25)11-15)13-23-19-5-3-4-6-20(19)24-14-18-10-8-16(2)12-22(18)26/h7-14,19-20,25-26H,3-6H2,1-2H3/b23-13+,24-14+
InChIKeyNYXNBLWQTLWVJN-RNIAWFEPSA-N
XLogP4.56
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol
CID 157078138
5-(diethylamino)-2-[[(2S)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol
CID 155164284
2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 135987838
copper;2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 135501676
5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 135975962
5-decyl-2-[[(1S,2S)-2-[(4-dodecyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;2-[[(1S,2S)-2-[(4-decyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-hexylphenol;2-[[(1S,2S)-2-[(4-dodecyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-octylphenol;5-hexadecyl-2-[[(1S,2S)-2-[(4-hexadecyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;5-hexyl-2-[[(1S,2S)-2-[(2-hydroxy-4-octylphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;2-[[(1S,2S)-2-[(2-hydroxy-4-icosylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-icosylphenol;platinum
CID 158542456
4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 136775436
2-(hydroxyiminomethyl)-5-methylphenol;iron
CID 175124373
chromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide
CID 159906793
4-tert-butyl-2-[[(1R,2R)-2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methylphenol
CID 136611019
4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol
CID 137081890
4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol
CID 137148214

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol?
The IUPAC name of 2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol (CID 159587394) is 2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol.
What is the SMILES notation for 2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol?
The canonical SMILES for 2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol is Cc1ccc(/C=N/C2CCCCC2/N=C/c2ccc(C)cc2O)c(O)c1.
What is the InChIKey of 2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol?
The InChIKey is NYXNBLWQTLWVJN-RNIAWFEPSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-7-9-17(21(25)11-15)13-23-19-5-3-4-6-20(19)24-14-18-10-8-16(2)12-22(18)26/h7-14,19-20,25-26H,3-6H2,1-2H3/b23-13+,24-14+.
What are the key properties of 2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol?
2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol has a molecular weight of 350.46 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol is sourced from PubChem (CID 159587394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).