2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol

C11H15NO2 — CID 137263734

IUPAC2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol
SMILESC/C(=N\O)c1c(C)c(C)cc(C)c1O
InChIInChI=1S/C11H15NO2/c1-6-5-7(2)11(13)10(8(6)3)9(4)12-14/h5,13-14H,1-4H3/b12-9+
InChIKeyZILBKQYUIULXPX-FMIVXFBMSA-N
MW193.25 g/mol
LogP2.52
Rot. Bonds1

About 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol

2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol (PubChem CID 137263734) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol.

Molecular Properties

Compound Name2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol
PubChem CID137263734
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol
SMILESC/C(=N\O)c1c(C)c(C)cc(C)c1O
InChIInChI=1S/C11H15NO2/c1-6-5-7(2)11(13)10(8(6)3)9(4)12-14/h5,13-14H,1-4H3/b12-9+
InChIKeyZILBKQYUIULXPX-FMIVXFBMSA-N
XLogP2.52
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol?
The IUPAC name of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol (CID 137263734) is 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol.
What is the SMILES notation for 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol?
The canonical SMILES for 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol is C/C(=N\O)c1c(C)c(C)cc(C)c1O.
What is the InChIKey of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol?
The InChIKey is ZILBKQYUIULXPX-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H15NO2/c1-6-5-7(2)11(13)10(8(6)3)9(4)12-14/h5,13-14H,1-4H3/b12-9+.
What are the key properties of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol?
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol has a molecular weight of 193.25 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol is sourced from PubChem (CID 137263734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).