2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide

C9H11ClN2O2 — CID 43176403

IUPAC2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide
SMILESCc1cc(OC/C(N)=N/O)ccc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6-4-7(2-3-8(6)10)14-5-9(11)12-13/h2-4,13H,5H2,1H3,(H2,11,12)
InChIKeyHLUOVNYNHJCURC-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.77
Rot. Bonds3

About 2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide

2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide (PubChem CID 43176403) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide
PubChem CID43176403
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide
SMILESCc1cc(OC/C(N)=N/O)ccc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6-4-7(2-3-8(6)10)14-5-9(11)12-13/h2-4,13H,5H2,1H3,(H2,11,12)
InChIKeyHLUOVNYNHJCURC-UHFFFAOYSA-N
XLogP1.77
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-(4-chloro-3-methylphenoxy)ethanimidamide
CID 43185947
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(3,4-dichlorophenoxy)-N'-methylethanimidamide
CID 3297094
(4-chloro-3-methylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 700512
1-chloro-4-[4-(4-chloro-3-methylphenoxy)but-2-enoxy]-2-methylbenzene
CID 3397879
3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43185939
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846065
[2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9404344
2-[(4-chloro-3-methylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066340
4-[2-(4-chloro-3-methylphenoxy)ethoxy]benzenecarbothioamide
CID 20988326
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942
1-chloro-2-methyl-4-(2-methylidenepent-4-enoxy)benzene
CID 11673009

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide (CID 43176403) is 2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide is Cc1cc(OC/C(N)=N/O)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide?
The InChIKey is HLUOVNYNHJCURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-6-4-7(2-3-8(6)10)14-5-9(11)12-13/h2-4,13H,5H2,1H3,(H2,11,12).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide?
2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide has a molecular weight of 214.65 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide is sourced from PubChem (CID 43176403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).