4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol

C16H23NO2 — CID 139637264

IUPAC4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/[C@@H](C)C2CCCCC2)ccc1O
InChIInChI=1S/C16H23NO2/c1-12(14-6-4-3-5-7-14)17-11-13-8-9-15(18)16(10-13)19-2/h8-12,14,18H,3-7H2,1-2H3/b17-11+/t12-/m0/s1
InChIKeyOEZLKUCEFNUMOP-OOIIIRTPSA-N
MW261.37 g/mol
LogP3.79
Rot. Bonds4

About 4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol

4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol (PubChem CID 139637264) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol
PubChem CID139637264
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/[C@@H](C)C2CCCCC2)ccc1O
InChIInChI=1S/C16H23NO2/c1-12(14-6-4-3-5-7-14)17-11-13-8-9-15(18)16(10-13)19-2/h8-12,14,18H,3-7H2,1-2H3/b17-11+/t12-/m0/s1
InChIKeyOEZLKUCEFNUMOP-OOIIIRTPSA-N
XLogP3.79
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine
CID 139062263
4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol
CID 135692372
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
CID 81391316
4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol
CID 136828234
[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide
CID 135534535
4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol
CID 141401137
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 1013453
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
CID 81396225
(2R)-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 137172631
4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol
CID 102548714
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol?
The IUPAC name of 4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol (CID 139637264) is 4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol is COc1cc(/C=N/[C@@H](C)C2CCCCC2)ccc1O.
What is the InChIKey of 4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol?
The InChIKey is OEZLKUCEFNUMOP-OOIIIRTPSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(14-6-4-3-5-7-14)17-11-13-8-9-15(18)16(10-13)19-2/h8-12,14,18H,3-7H2,1-2H3/b17-11+/t12-/m0/s1.
What are the key properties of 4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol?
4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol has a molecular weight of 261.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol is sourced from PubChem (CID 139637264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).