2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol

C9H11NO2 — CID 135641577

IUPAC2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol
SMILESC/C(=N/O)c1cc(C)ccc1O
InChIInChI=1S/C9H11NO2/c1-6-3-4-9(11)8(5-6)7(2)10-12/h3-5,11-12H,1-2H3/b10-7-
InChIKeyXTKCAANLZVJHCD-YFHOEESVSA-N
MW165.19 g/mol
LogP1.90
Rot. Bonds1

About 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol

2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol (PubChem CID 135641577) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol
PubChem CID135641577
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol
SMILESC/C(=N/O)c1cc(C)ccc1O
InChIInChI=1S/C9H11NO2/c1-6-3-4-9(11)8(5-6)7(2)10-12/h3-5,11-12H,1-2H3/b10-7-
InChIKeyXTKCAANLZVJHCD-YFHOEESVSA-N
XLogP1.90
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.90
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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Related Compounds

2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol
CID 135589061
2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 172651756
4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
CID 137191057
2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide
CID 43185521
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol
CID 137181033
[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid
CID 137152723
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4-methylphenol
CID 136704879
[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea
CID 4521675
2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol
CID 5240881
2-[(E)-N-hydroxy-C-[(11E)-11-hydroxyimino-11-(2-hydroxy-5-methylphenyl)undecyl]carbonimidoyl]-4-methylphenol
CID 135684564

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol?
The IUPAC name of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol (CID 135641577) is 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol.
What is the SMILES notation for 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol?
The canonical SMILES for 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol is C/C(=N/O)c1cc(C)ccc1O.
What is the InChIKey of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol?
The InChIKey is XTKCAANLZVJHCD-YFHOEESVSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-3-4-9(11)8(5-6)7(2)10-12/h3-5,11-12H,1-2H3/b10-7-.
What are the key properties of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol?
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol has a molecular weight of 165.19 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol is sourced from PubChem (CID 135641577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).