2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide

C15H15ClN2O2 — CID 107109614

IUPAC2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(Cl)ccc1Oc1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C15H15ClN2O2/c1-9-4-3-5-12(15(17)18-19)14(9)20-13-7-6-11(16)8-10(13)2/h3-8,19H,1-2H3,(H2,17,18)
InChIKeyOLMYVULSYJFKNR-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.84
Rot. Bonds3

About 2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide

2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 107109614) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID107109614
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(Cl)ccc1Oc1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C15H15ClN2O2/c1-9-4-3-5-12(15(17)18-19)14(9)20-13-7-6-11(16)8-10(13)2/h3-8,19H,1-2H3,(H2,17,18)
InChIKeyOLMYVULSYJFKNR-UHFFFAOYSA-N
XLogP3.84
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.84
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-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199996
5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892706
2-(2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200038
4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide
CID 76997712
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916435
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
N'-hydroxy-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 107109864
4-chloro-N'-hydroxy-2-(3-methylphenoxy)benzenecarboximidamide
CID 76984915
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107109785
N'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 107109802
4-chloro-2-methyl-1-(2-methylphenoxy)benzene
CID 62706685
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide (CID 107109614) is 2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cc(Cl)ccc1Oc1c(C)cccc1/C(N)=N/O.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is OLMYVULSYJFKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-4-3-5-12(15(17)18-19)14(9)20-13-7-6-11(16)8-10(13)2/h3-8,19H,1-2H3,(H2,17,18).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide?
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 290.75 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).