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

C8H7Cl2NO2 — CID 135520614

IUPAC2,4-dichloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)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/b11-4+
InChIKeyMLCQBWLVMIMZGC-NYYWCZLTSA-N
MW220.05 g/mol
LogP2.90
Rot. Bonds1

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

2,4-dichloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (PubChem CID 135520614) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.05 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
PubChem CID135520614
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.05 g/mol
Exact Mass218.99
IUPAC Name2,4-dichloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)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/b11-4+
InChIKeyMLCQBWLVMIMZGC-NYYWCZLTSA-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'}

Analyze 2,4-dichloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (CID 135520614) is 2,4-dichloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is C/C(=N\O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The InChIKey is MLCQBWLVMIMZGC-NYYWCZLTSA-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/b11-4+.
What are the key properties of 2,4-dichloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
2,4-dichloro-6-[(E)-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-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135520614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).