2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide

C15H16N2O2 — CID 43200048

IUPAC2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCCc1cccc(Oc2ccccc2/C(N)=N/O)c1
InChIInChI=1S/C15H16N2O2/c1-2-11-6-5-7-12(10-11)19-14-9-4-3-8-13(14)15(16)17-18/h3-10,18H,2H2,1H3,(H2,16,17)
InChIKeyCMQRFYVOXDDXRS-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.14
Rot. Bonds4

About 2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide

2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 43200048) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID43200048
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCCc1cccc(Oc2ccccc2/C(N)=N/O)c1
InChIInChI=1S/C15H16N2O2/c1-2-11-6-5-7-12(10-11)19-14-9-4-3-8-13(14)15(16)17-18/h3-10,18H,2H2,1H3,(H2,16,17)
InChIKeyCMQRFYVOXDDXRS-UHFFFAOYSA-N
XLogP3.14
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.14
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

N'-hydroxy-2-phenoxybenzenecarboximidamide
CID 51603436
2-(3-ethylphenoxy)benzoyl bromide
CID 139662785
2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 115492682
N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994
4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114904303
N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 43200019
2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200034
2-(2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200038
2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199980
2-(4-ethylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938935
5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide
CID 77004508
2-(3-ethylphenoxy)-6-fluoroaniline
CID 54920607

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide (CID 43200048) is 2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide is CCc1cccc(Oc2ccccc2/C(N)=N/O)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is CMQRFYVOXDDXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-11-6-5-7-12(10-11)19-14-9-4-3-8-13(14)15(16)17-18/h3-10,18H,2H2,1H3,(H2,16,17).
What are the key properties of 2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide?
2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 256.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43200048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).