2-[(E)-methoxyiminomethyl]-4-methylphenol

C9H11NO2 — CID 137270598

IUPAC2-[(E)-methoxyiminomethyl]-4-methylphenol
SMILESCO/N=C/c1cc(C)ccc1O
InChIInChI=1S/C9H11NO2/c1-7-3-4-9(11)8(5-7)6-10-12-2/h3-6,11H,1-2H3/b10-6+
InChIKeyZSQJHPHMZVYRGB-UXBLZVDNSA-N
MW165.19 g/mol
LogP1.68
Rot. Bonds2

About 2-[(E)-methoxyiminomethyl]-4-methylphenol

2-[(E)-methoxyiminomethyl]-4-methylphenol (PubChem CID 137270598) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-[(E)-methoxyiminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(E)-methoxyiminomethyl]-4-methylphenol
PubChem CID137270598
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-[(E)-methoxyiminomethyl]-4-methylphenol
SMILESCO/N=C/c1cc(C)ccc1O
InChIInChI=1S/C9H11NO2/c1-7-3-4-9(11)8(5-7)6-10-12-2/h3-6,11H,1-2H3/b10-6+
InChIKeyZSQJHPHMZVYRGB-UXBLZVDNSA-N
XLogP1.68
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol
CID 137276918
2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol
CID 137302638
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol
CID 136759942
4-methyl-2-(2-methylpropyliminomethyl)phenol
CID 137081828
4-[(E)-methoxyiminomethyl]benzene-1,2-diol
CID 135443391
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421
2-[[(1S,2S)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-methylphenol
CID 136866110
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
bis[(2-hydroxy-5-methylphenyl)methylidene]titanium
CID 174378495
4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol
CID 136661646
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide
CID 139180603

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-methoxyiminomethyl]-4-methylphenol?
The IUPAC name of 2-[(E)-methoxyiminomethyl]-4-methylphenol (CID 137270598) is 2-[(E)-methoxyiminomethyl]-4-methylphenol.
What is the SMILES notation for 2-[(E)-methoxyiminomethyl]-4-methylphenol?
The canonical SMILES for 2-[(E)-methoxyiminomethyl]-4-methylphenol is CO/N=C/c1cc(C)ccc1O.
What is the InChIKey of 2-[(E)-methoxyiminomethyl]-4-methylphenol?
The InChIKey is ZSQJHPHMZVYRGB-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7-3-4-9(11)8(5-7)6-10-12-2/h3-6,11H,1-2H3/b10-6+.
What are the key properties of 2-[(E)-methoxyiminomethyl]-4-methylphenol?
2-[(E)-methoxyiminomethyl]-4-methylphenol has a molecular weight of 165.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-methoxyiminomethyl]-4-methylphenol is sourced from PubChem (CID 137270598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).