5-(ethoxyiminomethyl)benzene-1,2,3-triol

C9H11NO4 — CID 136660682

IUPAC5-(ethoxyiminomethyl)benzene-1,2,3-triol
SMILESCCON=Cc1cc(O)c(O)c(O)c1
InChIInChI=1S/C9H11NO4/c1-2-14-10-5-6-3-7(11)9(13)8(12)4-6/h3-5,11-13H,2H2,1H3
InChIKeyVIONNQOFAQOYLB-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.17
Rot. Bonds3

About 5-(ethoxyiminomethyl)benzene-1,2,3-triol

5-(ethoxyiminomethyl)benzene-1,2,3-triol (PubChem CID 136660682) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-(ethoxyiminomethyl)benzene-1,2,3-triol.

Molecular Properties

Compound Name5-(ethoxyiminomethyl)benzene-1,2,3-triol
PubChem CID136660682
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name5-(ethoxyiminomethyl)benzene-1,2,3-triol
SMILESCCON=Cc1cc(O)c(O)c(O)c1
InChIInChI=1S/C9H11NO4/c1-2-14-10-5-6-3-7(11)9(13)8(12)4-6/h3-5,11-13H,2H2,1H3
InChIKeyVIONNQOFAQOYLB-UHFFFAOYSA-N
XLogP1.17
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.17
H-Bond Donors ≤ 53
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'}

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Related Compounds

4-chloro-2-[(E)-ethoxyiminomethyl]phenol
CID 135674625
(E)-N-ethoxy-1-(4-nitrosophenyl)methanimine
CID 126675164
4-(ethoxyiminomethyl)aniline
CID 123299913
(E)-N-ethoxy-1-naphthalen-2-ylmethanimine
CID 89064505
2-[(E)-ethoxyiminomethyl]pyridin-3-ol
CID 137274276
1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine
CID 142418631
2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide
CID 24542213
N-ethoxy-1-[4-(2-methylphenyl)phenyl]methanimine
CID 72558105
2-(ethoxyiminomethyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 135410672
4-[(E)-methoxyiminomethyl]benzene-1,2-diol
CID 135443391
5-[(Z)-hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol
CID 135436317
(E)-N-ethoxy-1-(2-methylphenyl)methanimine
CID 88956534

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxyiminomethyl)benzene-1,2,3-triol?
The IUPAC name of 5-(ethoxyiminomethyl)benzene-1,2,3-triol (CID 136660682) is 5-(ethoxyiminomethyl)benzene-1,2,3-triol.
What is the SMILES notation for 5-(ethoxyiminomethyl)benzene-1,2,3-triol?
The canonical SMILES for 5-(ethoxyiminomethyl)benzene-1,2,3-triol is CCON=Cc1cc(O)c(O)c(O)c1.
What is the InChIKey of 5-(ethoxyiminomethyl)benzene-1,2,3-triol?
The InChIKey is VIONNQOFAQOYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-2-14-10-5-6-3-7(11)9(13)8(12)4-6/h3-5,11-13H,2H2,1H3.
What are the key properties of 5-(ethoxyiminomethyl)benzene-1,2,3-triol?
5-(ethoxyiminomethyl)benzene-1,2,3-triol has a molecular weight of 197.19 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxyiminomethyl)benzene-1,2,3-triol is sourced from PubChem (CID 136660682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).