N'-hydroxy-2-[2-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide

C10H14N2O3 — CID 83884936

IUPACN'-hydroxy-2-[2-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide
SMILESCOCc1cccc(C/C(N)=N/O)c1O
InChIInChI=1S/C10H14N2O3/c1-15-6-8-4-2-3-7(10(8)13)5-9(11)12-14/h2-4,13-14H,5-6H2,1H3,(H2,11,12)
InChIKeyUYSIRYZOQHDFLP-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.83
Rot. Bonds4

About N'-hydroxy-2-[2-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide

N'-hydroxy-2-[2-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide (PubChem CID 83884936) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is N'-hydroxy-2-[2-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide
PubChem CID83884936
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN'-hydroxy-2-[2-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide
SMILESCOCc1cccc(C/C(N)=N/O)c1O
InChIInChI=1S/C10H14N2O3/c1-15-6-8-4-2-3-7(10(8)13)5-9(11)12-14/h2-4,13-14H,5-6H2,1H3,(H2,11,12)
InChIKeyUYSIRYZOQHDFLP-UHFFFAOYSA-N
XLogP0.83
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.83
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

N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide
CID 83878809
2-(3-hydroxypropyl)-6-(methoxymethyl)phenol
CID 117286238
2-(methoxymethyl)-6-[2-(methylamino)ethyl]phenol
CID 83879381
N'-hydroxy-2-(2-methylphenyl)ethanimidamide
CID 6001694
2-(1-aminopropan-2-yl)-6-(methoxymethyl)phenol
CID 83879383
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide
CID 4601584
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride
CID 57368856
N'-amino-2-(methoxymethyl)benzenecarboximidamide
CID 77073813
2-(8-bromonaphthalen-1-yl)-N'-hydroxyethanimidamide
CID 22159519
2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide
CID 57270874
N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide
CID 77026376
3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid
CID 117323019

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[2-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide (CID 83884936) is N'-hydroxy-2-[2-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide is COCc1cccc(C/C(N)=N/O)c1O.
What is the InChIKey of N'-hydroxy-2-[2-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide?
The InChIKey is UYSIRYZOQHDFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-15-6-8-4-2-3-7(10(8)13)5-9(11)12-14/h2-4,13-14H,5-6H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[2-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide?
N'-hydroxy-2-[2-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide has a molecular weight of 210.23 g/mol, XLogP of 0.83, 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-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide is sourced from PubChem (CID 83884936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).