N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]ethanimidamide

C9H12N2O3 — CID 77003791

IUPACN'-hydroxy-2-[2-(hydroxymethyl)phenoxy]ethanimidamide
SMILESNC(COc1ccccc1CO)=NO
InChIInChI=1S/C9H12N2O3/c10-9(11-13)6-14-8-4-2-1-3-7(8)5-12/h1-4,12-13H,5-6H2,(H2,10,11)
InChIKeyYGIBDFNVODUFOK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.30
Rot. Bonds4

About N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]ethanimidamide

N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]ethanimidamide (PubChem CID 77003791) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(hydroxymethyl)phenoxy]ethanimidamide
PubChem CID77003791
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN'-hydroxy-2-[2-(hydroxymethyl)phenoxy]ethanimidamide
SMILESNC(COc1ccccc1CO)=NO
InChIInChI=1S/C9H12N2O3/c10-9(11-13)6-14-8-4-2-1-3-7(8)5-12/h1-4,12-13H,5-6H2,(H2,10,11)
InChIKeyYGIBDFNVODUFOK-UHFFFAOYSA-N
XLogP0.30
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.30
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

2-(2-ethylphenoxy)-N'-hydroxyethanimidamide
CID 43364299
N'-hydroxy-2-(2-phenylphenoxy)ethanimidamide;hydrochloride
CID 117067574
[2-(2-phenylprop-2-enoxy)phenyl]methanol
CID 70376381
1-[2-(hydroxymethyl)phenoxy]-3-methoxypropan-2-one
CID 107508156
1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114494372
[2-(methoxymethoxy)phenyl]methanol
CID 10920904
(2-prop-2-enoxyphenyl)methanol
CID 11137475
2-amino-3-[2-(hydroxymethyl)phenoxy]-2-phenylpropanamide
CID 63654675
2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide
CID 24705176
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone
CID 63654140
4-[[2-(hydroxymethyl)phenoxy]methyl]benzamide
CID 103616898

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]ethanimidamide (CID 77003791) is N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]ethanimidamide is NC(COc1ccccc1CO)=NO.
What is the InChIKey of N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]ethanimidamide?
The InChIKey is YGIBDFNVODUFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-9(11-13)6-14-8-4-2-1-3-7(8)5-12/h1-4,12-13H,5-6H2,(H2,10,11).
What are the key properties of N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]ethanimidamide?
N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]ethanimidamide has a molecular weight of 196.21 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]ethanimidamide is sourced from PubChem (CID 77003791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).