N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide

C15H16N2O3 — CID 107712587

IUPACN'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccccc2CCO)cc1
InChIInChI=1S/C15H16N2O3/c16-15(17-19)12-5-7-13(8-6-12)20-14-4-2-1-3-11(14)9-10-18/h1-8,18-19H,9-10H2,(H2,16,17)
InChIKeyMKRLLMGYBSAXJX-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.11
Rot. Bonds5

About N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide

N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide (PubChem CID 107712587) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
PubChem CID107712587
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccccc2CCO)cc1
InChIInChI=1S/C15H16N2O3/c16-15(17-19)12-5-7-13(8-6-12)20-14-4-2-1-3-11(14)9-10-18/h1-8,18-19H,9-10H2,(H2,16,17)
InChIKeyMKRLLMGYBSAXJX-UHFFFAOYSA-N
XLogP2.11
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712561
N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708950
N'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide
CID 43188222
3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 82799625
3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708937
N'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 107712563
4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188261
N'-hydroxy-4-[(2-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76917582
4-[2-(hydroxymethyl)phenoxy]benzamide
CID 28946171
N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide
CID 142791611
2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712613
4-[2-(aminomethyl)phenoxy]benzamide
CID 28824744

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide (CID 107712587) is N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide is N/C(=N/O)c1ccc(Oc2ccccc2CCO)cc1.
What is the InChIKey of N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The InChIKey is MKRLLMGYBSAXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-15(17-19)12-5-7-13(8-6-12)20-14-4-2-1-3-11(14)9-10-18/h1-8,18-19H,9-10H2,(H2,16,17).
What are the key properties of N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide has a molecular weight of 272.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 107712587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).