2-ethoxy-5-(hydroxyiminomethyl)benzoic acid

C10H11NO4 — CID 4769996

IUPAC2-ethoxy-5-(hydroxyiminomethyl)benzoic acid
SMILESCCOc1ccc(C=NO)cc1C(=O)O
InChIInChI=1S/C10H11NO4/c1-2-15-9-4-3-7(6-11-14)5-8(9)10(12)13/h3-6,14H,2H2,1H3,(H,12,13)
InChIKeyYIDYXWVFELOUKE-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.59
Rot. Bonds4

About 2-ethoxy-5-(hydroxyiminomethyl)benzoic acid

2-ethoxy-5-(hydroxyiminomethyl)benzoic acid (PubChem CID 4769996) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-ethoxy-5-(hydroxyiminomethyl)benzoic acid.

Molecular Properties

Compound Name2-ethoxy-5-(hydroxyiminomethyl)benzoic acid
PubChem CID4769996
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-ethoxy-5-(hydroxyiminomethyl)benzoic acid
SMILESCCOc1ccc(C=NO)cc1C(=O)O
InChIInChI=1S/C10H11NO4/c1-2-15-9-4-3-7(6-11-14)5-8(9)10(12)13/h3-6,14H,2H2,1H3,(H,12,13)
InChIKeyYIDYXWVFELOUKE-UHFFFAOYSA-N
XLogP1.59
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-ethoxy-5-(hydroxyiminomethyl)benzoic acid 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

5-[(E)-hydroxyiminomethyl]-2-methoxybenzoic acid
CID 126055980
2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide
CID 1223156
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
2-ethoxy-5-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 8897777
5-[(Z)-[[2-(3,4-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxybenzoic acid
CID 8897558
2-ethoxy-5-[(Z)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 8897787
N-[[3-bromo-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20985545
2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 8897566
2-ethoxy-5-(hydroxymethyl)benzoic acid
CID 163697379
2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 91689789
[2-ethoxy-4-(hydroxyiminomethyl)phenyl] 4-methylbenzenesulfonate
CID 2288717

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(hydroxyiminomethyl)benzoic acid?
The IUPAC name of 2-ethoxy-5-(hydroxyiminomethyl)benzoic acid (CID 4769996) is 2-ethoxy-5-(hydroxyiminomethyl)benzoic acid.
What is the SMILES notation for 2-ethoxy-5-(hydroxyiminomethyl)benzoic acid?
The canonical SMILES for 2-ethoxy-5-(hydroxyiminomethyl)benzoic acid is CCOc1ccc(C=NO)cc1C(=O)O.
What is the InChIKey of 2-ethoxy-5-(hydroxyiminomethyl)benzoic acid?
The InChIKey is YIDYXWVFELOUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-2-15-9-4-3-7(6-11-14)5-8(9)10(12)13/h3-6,14H,2H2,1H3,(H,12,13).
What are the key properties of 2-ethoxy-5-(hydroxyiminomethyl)benzoic acid?
2-ethoxy-5-(hydroxyiminomethyl)benzoic acid has a molecular weight of 209.20 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(hydroxyiminomethyl)benzoic acid is sourced from PubChem (CID 4769996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).