2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide

C15H16N2O4 — CID 43200034

IUPAC2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCOc1cccc(OC)c1Oc1ccccc1/C(N)=N/O
InChIInChI=1S/C15H16N2O4/c1-19-12-8-5-9-13(20-2)14(12)21-11-7-4-3-6-10(11)15(16)17-18/h3-9,18H,1-2H3,(H2,16,17)
InChIKeyQGLORNHVNXDBQF-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.59
Rot. Bonds5

About 2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide

2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 43200034) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID43200034
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCOc1cccc(OC)c1Oc1ccccc1/C(N)=N/O
InChIInChI=1S/C15H16N2O4/c1-19-12-8-5-9-13(20-2)14(12)21-11-7-4-3-6-10(11)15(16)17-18/h3-9,18H,1-2H3,(H2,16,17)
InChIKeyQGLORNHVNXDBQF-UHFFFAOYSA-N
XLogP2.59
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200038
N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994
N'-hydroxy-2-phenoxybenzenecarboximidamide
CID 51603436
N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide
CID 43140206
N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
CID 24711030
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 43200019
2-methoxy-N'-methylbenzenecarboximidamide
CID 63181922
2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199980
2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200048
2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199996
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide (CID 43200034) is 2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide is COc1cccc(OC)c1Oc1ccccc1/C(N)=N/O.
What is the InChIKey of 2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is QGLORNHVNXDBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-19-12-8-5-9-13(20-2)14(12)21-11-7-4-3-6-10(11)15(16)17-18/h3-9,18H,1-2H3,(H2,16,17).
What are the key properties of 2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide?
2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 288.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43200034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).