3-methoxy-5-[(E)-methoxyiminomethyl]benzene-1,2-diol

C9H11NO4 — CID 136646541

IUPAC3-methoxy-5-[(E)-methoxyiminomethyl]benzene-1,2-diol
SMILESCO/N=C/c1cc(O)c(O)c(OC)c1
InChIInChI=1S/C9H11NO4/c1-13-8-4-6(5-10-14-2)3-7(11)9(8)12/h3-5,11-12H,1-2H3/b10-5+
InChIKeyLCCLCCHMNBAIDU-BJMVGYQFSA-N
MW197.19 g/mol
LogP1.09
Rot. Bonds3

About 3-methoxy-5-[(E)-methoxyiminomethyl]benzene-1,2-diol

3-methoxy-5-[(E)-methoxyiminomethyl]benzene-1,2-diol (PubChem CID 136646541) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-methoxy-5-[(E)-methoxyiminomethyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-methoxy-5-[(E)-methoxyiminomethyl]benzene-1,2-diol
PubChem CID136646541
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name3-methoxy-5-[(E)-methoxyiminomethyl]benzene-1,2-diol
SMILESCO/N=C/c1cc(O)c(O)c(OC)c1
InChIInChI=1S/C9H11NO4/c1-13-8-4-6(5-10-14-2)3-7(11)9(8)12/h3-5,11-12H,1-2H3/b10-5+
InChIKeyLCCLCCHMNBAIDU-BJMVGYQFSA-N
XLogP1.09
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 3-methoxy-5-[(E)-methoxyiminomethyl]benzene-1,2-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

Isorhapontigenin
CID 5318650
4-Methyl-2,6-dimethoxyphenol
CID 240925
4-Allyl-2,6-dimethoxyphenol
CID 226486
4-Vinylsyringol
CID 35960
2,6-Dimethoxy-4-propenylphenol,(E)-
CID 5352905
Sinapyl alcohol
CID 5280507
4-Ethylsyringol
CID 61712
4-Propyl-2,6-dimethoxyphenol
CID 524975
Syringic alcohol
CID 10741
Rhapontigenin
CID 5320954
4-(3-Hydroxypropyl)-2,6-Dimethoxyphenol
CID 529893
5-(3-Hydroxypropyl)-2,3-dimethoxyphenol
CID 72942686

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(E)-methoxyiminomethyl]benzene-1,2-diol?
The IUPAC name of 3-methoxy-5-[(E)-methoxyiminomethyl]benzene-1,2-diol (CID 136646541) is 3-methoxy-5-[(E)-methoxyiminomethyl]benzene-1,2-diol.
What is the SMILES notation for 3-methoxy-5-[(E)-methoxyiminomethyl]benzene-1,2-diol?
The canonical SMILES for 3-methoxy-5-[(E)-methoxyiminomethyl]benzene-1,2-diol is CO/N=C/c1cc(O)c(O)c(OC)c1.
What is the InChIKey of 3-methoxy-5-[(E)-methoxyiminomethyl]benzene-1,2-diol?
The InChIKey is LCCLCCHMNBAIDU-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H11NO4/c1-13-8-4-6(5-10-14-2)3-7(11)9(8)12/h3-5,11-12H,1-2H3/b10-5+.
What are the key properties of 3-methoxy-5-[(E)-methoxyiminomethyl]benzene-1,2-diol?
3-methoxy-5-[(E)-methoxyiminomethyl]benzene-1,2-diol has a molecular weight of 197.19 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(E)-methoxyiminomethyl]benzene-1,2-diol is sourced from PubChem (CID 136646541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).