N-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride

C8H6ClNO3 — CID 78408183

IUPACN-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride
SMILESO=C(C(Cl)=NO)c1ccc(O)cc1
InChIInChI=1S/C8H6ClNO3/c9-8(10-13)7(12)5-1-3-6(11)4-2-5/h1-4,11,13H
InChIKeyYHOOPWNLHRKWEM-UHFFFAOYSA-N
MW199.59 g/mol
LogP1.60
Rot. Bonds2

About N-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride

N-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride (PubChem CID 78408183) has the molecular formula C8H6ClNO3 and a molecular weight of 199.59 g/mol. Its IUPAC name is N-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride.

Molecular Properties

Compound NameN-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride
PubChem CID78408183
Molecular FormulaC8H6ClNO3
Molecular Weight199.59 g/mol
Exact Mass199.00
IUPAC NameN-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride
SMILESO=C(C(Cl)=NO)c1ccc(O)cc1
InChIInChI=1S/C8H6ClNO3/c9-8(10-13)7(12)5-1-3-6(11)4-2-5/h1-4,11,13H
InChIKeyYHOOPWNLHRKWEM-UHFFFAOYSA-N
XLogP1.60
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.59
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(1Z)-2-(3,4-dihydroxyphenyl)-N-hydroxy-2-oxoethanimidoyl chloride
CID 135431250
benzene-1,4-diol;bis(carbonochloridic acid)
CID 88626598
4-(4-hydroxyphenyl)benzoyl chloride
CID 87880031
2-(4-hydroxyphenyl)prop-2-enoyl chloride
CID 174874840
4-hydroxy(11C)benzoic acid
CID 11275035
2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride
CID 75088887
(2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide
CID 174456156
(1E)-2-oxo-2-phenylethanehydrazonoyl chloride
CID 45080811
1-(4-hydroxyphenyl)pentane-1,2-dione
CID 125478605
4-hydroxybenzoic acid;decahydrate
CID 140502755
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
4-hydroxybenzoic acid;silver
CID 88784168

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride?
The IUPAC name of N-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride (CID 78408183) is N-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride.
What is the SMILES notation for N-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride?
The canonical SMILES for N-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride is O=C(C(Cl)=NO)c1ccc(O)cc1.
What is the InChIKey of N-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride?
The InChIKey is YHOOPWNLHRKWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO3/c9-8(10-13)7(12)5-1-3-6(11)4-2-5/h1-4,11,13H.
What are the key properties of N-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride?
N-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride has a molecular weight of 199.59 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride is sourced from PubChem (CID 78408183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).