2,4-dichloro-6-[(E)-hydroxyiminomethyl]phenol

C7H5Cl2NO2 — CID 135408734

IUPAC2,4-dichloro-6-[(E)-hydroxyiminomethyl]phenol
SMILESO/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C7H5Cl2NO2/c8-5-1-4(3-10-12)7(11)6(9)2-5/h1-3,11-12H/b10-3+
InChIKeySHGLQTKOGKFLAS-XCVCLJGOSA-N
MW206.03 g/mol
LogP2.51
Rot. Bonds1

About 2,4-dichloro-6-[(E)-hydroxyiminomethyl]phenol

2,4-dichloro-6-[(E)-hydroxyiminomethyl]phenol (PubChem CID 135408734) has the molecular formula C7H5Cl2NO2 and a molecular weight of 206.03 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-hydroxyiminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-hydroxyiminomethyl]phenol
PubChem CID135408734
Molecular FormulaC7H5Cl2NO2
Molecular Weight206.03 g/mol
Exact Mass204.97
IUPAC Name2,4-dichloro-6-[(E)-hydroxyiminomethyl]phenol
SMILESO/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C7H5Cl2NO2/c8-5-1-4(3-10-12)7(11)6(9)2-5/h1-3,11-12H/b10-3+
InChIKeySHGLQTKOGKFLAS-XCVCLJGOSA-N
XLogP2.51
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 52.51
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-[(E)-hydroxyiminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-hydroxyiminomethyl]phenol (CID 135408734) is 2,4-dichloro-6-[(E)-hydroxyiminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-hydroxyiminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-hydroxyiminomethyl]phenol is O/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(E)-hydroxyiminomethyl]phenol?
The InChIKey is SHGLQTKOGKFLAS-XCVCLJGOSA-N. The full InChI is InChI=1S/C7H5Cl2NO2/c8-5-1-4(3-10-12)7(11)6(9)2-5/h1-3,11-12H/b10-3+.
What are the key properties of 2,4-dichloro-6-[(E)-hydroxyiminomethyl]phenol?
2,4-dichloro-6-[(E)-hydroxyiminomethyl]phenol has a molecular weight of 206.03 g/mol, XLogP of 2.51, 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)-hydroxyiminomethyl]phenol is sourced from PubChem (CID 135408734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).