2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol

C10H14N2O4 — CID 136908274

IUPAC2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCN(O)O)c1O
InChIInChI=1S/C10H14N2O4/c1-16-9-4-2-3-8(10(9)13)7-11-5-6-12(14)15/h2-4,7,13-15H,5-6H2,1H3/b11-7+
InChIKeyJZZQWAIXNJQKLM-YRNVUSSQSA-N
MW226.23 g/mol
LogP0.90
Rot. Bonds5

About 2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol

2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol (PubChem CID 136908274) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol
PubChem CID136908274
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCN(O)O)c1O
InChIInChI=1S/C10H14N2O4/c1-16-9-4-2-3-8(10(9)13)7-11-5-6-12(14)15/h2-4,7,13-15H,5-6H2,1H3/b11-7+
InChIKeyJZZQWAIXNJQKLM-YRNVUSSQSA-N
XLogP0.90
TPSA85.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
CID 135757817
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol
CID 135855450
2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol
CID 135829051
2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol
CID 135817980
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol (CID 136908274) is 2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol is COc1cccc(/C=N/CCN(O)O)c1O.
What is the InChIKey of 2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol?
The InChIKey is JZZQWAIXNJQKLM-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-16-9-4-2-3-8(10(9)13)7-11-5-6-12(14)15/h2-4,7,13-15H,5-6H2,1H3/b11-7+.
What are the key properties of 2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol?
2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol has a molecular weight of 226.23 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol is sourced from PubChem (CID 136908274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).