4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol

C10H13NO2 — CID 137262701

IUPAC4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol
SMILESC/C(=N/O)c1cc(C)c(O)cc1C
InChIInChI=1S/C10H13NO2/c1-6-5-10(12)7(2)4-9(6)8(3)11-13/h4-5,12-13H,1-3H3/b11-8-
InChIKeyCJVBWJYBSQAPLW-FLIBITNWSA-N
MW179.22 g/mol
LogP2.21
Rot. Bonds1

About 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol

4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol (PubChem CID 137262701) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol
PubChem CID137262701
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol
SMILESC/C(=N/O)c1cc(C)c(O)cc1C
InChIInChI=1S/C10H13NO2/c1-6-5-10(12)7(2)4-9(6)8(3)11-13/h4-5,12-13H,1-3H3/b11-8-
InChIKeyCJVBWJYBSQAPLW-FLIBITNWSA-N
XLogP2.21
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.21
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 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol?
The IUPAC name of 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol (CID 137262701) is 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol.
What is the SMILES notation for 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol?
The canonical SMILES for 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol is C/C(=N/O)c1cc(C)c(O)cc1C.
What is the InChIKey of 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol?
The InChIKey is CJVBWJYBSQAPLW-FLIBITNWSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6-5-10(12)7(2)4-9(6)8(3)11-13/h4-5,12-13H,1-3H3/b11-8-.
What are the key properties of 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol?
4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol has a molecular weight of 179.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol is sourced from PubChem (CID 137262701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).