4-[(E)-methoxyiminomethyl]benzene-1,3-diol

C8H9NO3 — CID 135580599

IUPAC4-[(E)-methoxyiminomethyl]benzene-1,3-diol
SMILESCO/N=C/c1ccc(O)cc1O
InChIInChI=1S/C8H9NO3/c1-12-9-5-6-2-3-7(10)4-8(6)11/h2-5,10-11H,1H3/b9-5+
InChIKeyHZFMLQJTQZKTIC-WEVVVXLNSA-N
MW167.16 g/mol
LogP1.08
Rot. Bonds2

About 4-[(E)-methoxyiminomethyl]benzene-1,3-diol

4-[(E)-methoxyiminomethyl]benzene-1,3-diol (PubChem CID 135580599) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 4-[(E)-methoxyiminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-methoxyiminomethyl]benzene-1,3-diol
PubChem CID135580599
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name4-[(E)-methoxyiminomethyl]benzene-1,3-diol
SMILESCO/N=C/c1ccc(O)cc1O
InChIInChI=1S/C8H9NO3/c1-12-9-5-6-2-3-7(10)4-8(6)11/h2-5,10-11H,1H3/b9-5+
InChIKeyHZFMLQJTQZKTIC-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(E)-methoxyiminomethyl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Butylresorcinol
CID 205912
4-Ethylresorcinol
CID 17927
Salicylaldoxime
CID 135408751
(1E)-1-(2,4-Dihydroxyphenyl)ethanone oxime
CID 135399628
4-Hydroxybenzaldehyde oxime
CID 135408704
2,4-Dihydroxybenzaldehyde oxime
CID 135408746
(Z)-(4-hydroxyphenyl)acetaldehyde oxime
CID 5459810
Salicylaldehyde oxime
CID 7200
5-Nonylsalicylaldoxime
CID 135478032
4-((Cyclohexylimino)methyl)benzene-1,3-diol
CID 796887
5-(Tert-butyl)-2-hydroxybenzenecarbaldehyde oxime
CID 135476806
1-(2,4-Dihydroxyphenyl)ethanone oxime
CID 135400493

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-methoxyiminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-methoxyiminomethyl]benzene-1,3-diol (CID 135580599) is 4-[(E)-methoxyiminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-methoxyiminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-methoxyiminomethyl]benzene-1,3-diol is CO/N=C/c1ccc(O)cc1O.
What is the InChIKey of 4-[(E)-methoxyiminomethyl]benzene-1,3-diol?
The InChIKey is HZFMLQJTQZKTIC-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-9-5-6-2-3-7(10)4-8(6)11/h2-5,10-11H,1H3/b9-5+.
What are the key properties of 4-[(E)-methoxyiminomethyl]benzene-1,3-diol?
4-[(E)-methoxyiminomethyl]benzene-1,3-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-1,3-diol is sourced from PubChem (CID 135580599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).