N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide

C13H12N2O2 — CID 4071161

IUPACN'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C13H12N2O2/c14-13(15-17)11-3-1-9(2-4-11)10-5-7-12(16)8-6-10/h1-8,16-17H,(H2,14,15)
InChIKeyJKIMHGBCEPLGQE-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.15
Rot. Bonds2

About N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide

N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide (PubChem CID 4071161) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide
PubChem CID4071161
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C13H12N2O2/c14-13(15-17)11-3-1-9(2-4-11)10-5-7-12(16)8-6-10/h1-8,16-17H,(H2,14,15)
InChIKeyJKIMHGBCEPLGQE-UHFFFAOYSA-N
XLogP2.15
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.15
H-Bond Donors ≤ 53
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-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 71745689
N'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide
CID 140559080
N'-amino-4-hydroxybenzenecarboximidamide
CID 135693195
4-hydroxy-N'-methylbenzenecarboximidamide
CID 135965183
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
N'-hydroxybenzenecarboximidamide
CID 142861747
4-[3-fluoro-4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-N'-hydroxybenzenecarboximidamide;hydrochloride
CID 135407882
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022
4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl chloride
CID 165349208
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
N'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide
CID 90886775

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide (CID 4071161) is N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide is NC(=NO)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide?
The InChIKey is JKIMHGBCEPLGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-13(15-17)11-3-1-9(2-4-11)10-5-7-12(16)8-6-10/h1-8,16-17H,(H2,14,15).
What are the key properties of N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide?
N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide has a molecular weight of 228.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide is sourced from PubChem (CID 4071161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).