4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol

C21H24N2O3 — CID 157078138

IUPAC4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol
SMILESCc1ccc(/C=N/C2CCCCC2/N=C/c2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C21H24N2O3/c1-14-6-7-15(20(25)10-14)12-22-18-4-2-3-5-19(18)23-13-16-8-9-17(24)11-21(16)26/h6-13,18-19,24-26H,2-5H2,1H3/b22-12+,23-13+
InChIKeyAUDDGOXKOJFJFQ-FWSOMWAYSA-N
MW352.43 g/mol
LogP3.96
Rot. Bonds4

About 4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol

4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol (PubChem CID 157078138) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol
PubChem CID157078138
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol
SMILESCc1ccc(/C=N/C2CCCCC2/N=C/c2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C21H24N2O3/c1-14-6-7-15(20(25)10-14)12-22-18-4-2-3-5-19(18)23-13-16-8-9-17(24)11-21(16)26/h6-13,18-19,24-26H,2-5H2,1H3/b22-12+,23-13+
InChIKeyAUDDGOXKOJFJFQ-FWSOMWAYSA-N
XLogP3.96
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol
CID 159587394
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
4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 136775436
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-(methyliminomethyl)benzene-1,3-diol
CID 136600311
4-tert-butyl-2-[[(1R,2R)-2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methylphenol
CID 136611019
2-(hydroxyiminomethyl)-5-methylphenol;iron
CID 175124373
4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]benzene-1,3-diol
CID 135692375
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+)
CID 137305952

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol (CID 157078138) is 4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol is Cc1ccc(/C=N/C2CCCCC2/N=C/c2ccc(O)cc2O)c(O)c1.
What is the InChIKey of 4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol?
The InChIKey is AUDDGOXKOJFJFQ-FWSOMWAYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-6-7-15(20(25)10-14)12-22-18-4-2-3-5-19(18)23-13-16-8-9-17(24)11-21(16)26/h6-13,18-19,24-26H,2-5H2,1H3/b22-12+,23-13+.
What are the key properties of 4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol?
4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol has a molecular weight of 352.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 157078138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).