4-[(E)-methoxyiminomethyl]benzene-1,2-diol

C8H9NO3 — CID 135443391

IUPAC4-[(E)-methoxyiminomethyl]benzene-1,2-diol
SMILESCO/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C8H9NO3/c1-12-9-5-6-2-3-7(10)8(11)4-6/h2-5,10-11H,1H3/b9-5+
InChIKeyQKIMWRSLZXAMIW-WEVVVXLNSA-N
MW167.16 g/mol
LogP1.08
Rot. Bonds2

About 4-[(E)-methoxyiminomethyl]benzene-1,2-diol

4-[(E)-methoxyiminomethyl]benzene-1,2-diol (PubChem CID 135443391) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 4-[(E)-methoxyiminomethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-methoxyiminomethyl]benzene-1,2-diol
PubChem CID135443391
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name4-[(E)-methoxyiminomethyl]benzene-1,2-diol
SMILESCO/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C8H9NO3/c1-12-9-5-6-2-3-7(10)8(11)4-6/h2-5,10-11H,1H3/b9-5+
InChIKeyQKIMWRSLZXAMIW-WEVVVXLNSA-N
XLogP1.08
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol
CID 137263283
2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid
CID 135598743
4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol
CID 136786728
[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium
CID 135485458
(Z)-1-(3,4-dimethoxyphenyl)-N-methoxymethanimine
CID 5375403
(E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine
CID 53468142
4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol
CID 136786732
2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol
CID 137276918
2-[(E)-methoxyiminomethyl]-4-methylphenol
CID 137270598
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine
CID 4181314
methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate
CID 90187627

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-methoxyiminomethyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-methoxyiminomethyl]benzene-1,2-diol (CID 135443391) is 4-[(E)-methoxyiminomethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-methoxyiminomethyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-methoxyiminomethyl]benzene-1,2-diol is CO/N=C/c1ccc(O)c(O)c1.
What is the InChIKey of 4-[(E)-methoxyiminomethyl]benzene-1,2-diol?
The InChIKey is QKIMWRSLZXAMIW-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-9-5-6-2-3-7(10)8(11)4-6/h2-5,10-11H,1H3/b9-5+.
What are the key properties of 4-[(E)-methoxyiminomethyl]benzene-1,2-diol?
4-[(E)-methoxyiminomethyl]benzene-1,2-diol has a molecular weight of 167.16 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-methoxyiminomethyl]benzene-1,2-diol is sourced from PubChem (CID 135443391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).