2,4-dichloro-6-(N-hydroxy-C-methylcarbonimidoyl)phenol

C8H7Cl2NO2 — CID 2803899

IUPAC2,4-dichloro-6-(N-hydroxy-C-methylcarbonimidoyl)phenol
SMILESCC(=NO)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H7Cl2NO2/c1-4(11-13)6-2-5(9)3-7(10)8(6)12/h2-3,12-13H,1H3
InChIKeyMLCQBWLVMIMZGC-UHFFFAOYSA-N
MW220.05 g/mol
LogP2.90
Rot. Bonds1

About 2,4-dichloro-6-(N-hydroxy-C-methylcarbonimidoyl)phenol

2,4-dichloro-6-(N-hydroxy-C-methylcarbonimidoyl)phenol (PubChem CID 2803899) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.05 g/mol. Its IUPAC name is 2,4-dichloro-6-(N-hydroxy-C-methylcarbonimidoyl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(N-hydroxy-C-methylcarbonimidoyl)phenol
PubChem CID2803899
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.05 g/mol
Exact Mass218.99
IUPAC Name2,4-dichloro-6-(N-hydroxy-C-methylcarbonimidoyl)phenol
SMILESCC(=NO)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H7Cl2NO2/c1-4(11-13)6-2-5(9)3-7(10)8(6)12/h2-3,12-13H,1H3
InChIKeyMLCQBWLVMIMZGC-UHFFFAOYSA-N
XLogP2.90
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.05
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(N-hydroxy-C-methylcarbonimidoyl)phenol?
The IUPAC name of 2,4-dichloro-6-(N-hydroxy-C-methylcarbonimidoyl)phenol (CID 2803899) is 2,4-dichloro-6-(N-hydroxy-C-methylcarbonimidoyl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(N-hydroxy-C-methylcarbonimidoyl)phenol?
The canonical SMILES for 2,4-dichloro-6-(N-hydroxy-C-methylcarbonimidoyl)phenol is CC(=NO)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-(N-hydroxy-C-methylcarbonimidoyl)phenol?
The InChIKey is MLCQBWLVMIMZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c1-4(11-13)6-2-5(9)3-7(10)8(6)12/h2-3,12-13H,1H3.
What are the key properties of 2,4-dichloro-6-(N-hydroxy-C-methylcarbonimidoyl)phenol?
2,4-dichloro-6-(N-hydroxy-C-methylcarbonimidoyl)phenol has a molecular weight of 220.05 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(N-hydroxy-C-methylcarbonimidoyl)phenol is sourced from PubChem (CID 2803899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).