2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol

C18H27NO2 — CID 139177588

IUPAC2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol
SMILESCc1cc(/C=N/[C@H]2CCCC[C@@H]2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H27NO2/c1-12-9-13(17(21)14(10-12)18(2,3)4)11-19-15-7-5-6-8-16(15)20/h9-11,15-16,20-21H,5-8H2,1-4H3/b19-11+/t15-,16-/m0/s1
InChIKeyNHYLWONOFBTVPJ-DDMUGZQBSA-N
MW289.42 g/mol
LogP3.72
Rot. Bonds2

About 2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol

2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol (PubChem CID 139177588) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol
PubChem CID139177588
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol
SMILESCc1cc(/C=N/[C@H]2CCCC[C@@H]2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H27NO2/c1-12-9-13(17(21)14(10-12)18(2,3)4)11-19-15-7-5-6-8-16(15)20/h9-11,15-16,20-21H,5-8H2,1-4H3/b19-11+/t15-,16-/m0/s1
InChIKeyNHYLWONOFBTVPJ-DDMUGZQBSA-N
XLogP3.72
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol
CID 137246755
2-tert-butyl-6-[[4-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]oxolan-3-yl]iminomethyl]-4-methylphenol
CID 142650758
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+)
CID 137305952
2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 137139639
chromium;2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;hydrochloride
CID 166597440
chromium;2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;chloride
CID 170923546
cobalt(3+);2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;triiodide
CID 173086543
2-tert-butyl-6-[[(1S,2S)-2-[(3-tert-butyl-5-fluoro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-fluorophenol
CID 177446398
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese;chloride
CID 146161249
2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol
CID 136883588
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;trichlorochromium
CID 136664418
2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylsulfanylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylsulfanylphenol
CID 136672043

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol (CID 139177588) is 2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol is Cc1cc(/C=N/[C@H]2CCCC[C@@H]2O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol?
The InChIKey is NHYLWONOFBTVPJ-DDMUGZQBSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12-9-13(17(21)14(10-12)18(2,3)4)11-19-15-7-5-6-8-16(15)20/h9-11,15-16,20-21H,5-8H2,1-4H3/b19-11+/t15-,16-/m0/s1.
What are the key properties of 2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol?
2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol has a molecular weight of 289.42 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol is sourced from PubChem (CID 139177588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).