4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide

C15H16N2O2 — CID 43188261

IUPAC4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1cccc(Oc2ccc(/C(N)=N/O)cc2)c1C
InChIInChI=1S/C15H16N2O2/c1-10-4-3-5-14(11(10)2)19-13-8-6-12(7-9-13)15(16)17-18/h3-9,18H,1-2H3,(H2,16,17)
InChIKeyWBAHIKNIAWMPKT-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.19
Rot. Bonds3

About 4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide

4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 43188261) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID43188261
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1cccc(Oc2ccc(/C(N)=N/O)cc2)c1C
InChIInChI=1S/C15H16N2O2/c1-10-4-3-5-14(11(10)2)19-13-8-6-12(7-9-13)15(16)17-18/h3-9,18H,1-2H3,(H2,16,17)
InChIKeyWBAHIKNIAWMPKT-UHFFFAOYSA-N
XLogP3.19
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.19
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

4-(2,3-dimethylphenoxy)benzoic acid
CID 20987074
N'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide
CID 43188222
1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one
CID 114065883
2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930140
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
[4-(2,3-dimethylphenoxy)phenyl]methanol
CID 28946045
N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712587
N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide
CID 54934539
5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892727
6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide
CID 170856008
4-(2,3-dimethylphenoxy)-N,N-dimethylaniline
CID 59069197
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide (CID 43188261) is 4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide is Cc1cccc(Oc2ccc(/C(N)=N/O)cc2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is WBAHIKNIAWMPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-4-3-5-14(11(10)2)19-13-8-6-12(7-9-13)15(16)17-18/h3-9,18H,1-2H3,(H2,16,17).
What are the key properties of 4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide?
4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 256.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43188261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).