4-(2-hydroxyethylamino)oxy-3-methoxybenzaldehyde

C10H13NO4 — CID 91472552

IUPAC4-(2-hydroxyethylamino)oxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1ONCCO
InChIInChI=1S/C10H13NO4/c1-14-10-6-8(7-13)2-3-9(10)15-11-4-5-12/h2-3,6-7,11-12H,4-5H2,1H3
InChIKeyGXGLMNAOBXQAMK-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.38
Rot. Bonds6

About 4-(2-hydroxyethylamino)oxy-3-methoxybenzaldehyde

4-(2-hydroxyethylamino)oxy-3-methoxybenzaldehyde (PubChem CID 91472552) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)oxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)oxy-3-methoxybenzaldehyde
PubChem CID91472552
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name4-(2-hydroxyethylamino)oxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1ONCCO
InChIInChI=1S/C10H13NO4/c1-14-10-6-8(7-13)2-3-9(10)15-11-4-5-12/h2-3,6-7,11-12H,4-5H2,1H3
InChIKeyGXGLMNAOBXQAMK-UHFFFAOYSA-N
XLogP0.38
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2-hydroxyethylamino)oxy-3-methoxybenzaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)oxy-3-methoxybenzaldehyde?
The IUPAC name of 4-(2-hydroxyethylamino)oxy-3-methoxybenzaldehyde (CID 91472552) is 4-(2-hydroxyethylamino)oxy-3-methoxybenzaldehyde.
What is the SMILES notation for 4-(2-hydroxyethylamino)oxy-3-methoxybenzaldehyde?
The canonical SMILES for 4-(2-hydroxyethylamino)oxy-3-methoxybenzaldehyde is COc1cc(C=O)ccc1ONCCO.
What is the InChIKey of 4-(2-hydroxyethylamino)oxy-3-methoxybenzaldehyde?
The InChIKey is GXGLMNAOBXQAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-14-10-6-8(7-13)2-3-9(10)15-11-4-5-12/h2-3,6-7,11-12H,4-5H2,1H3.
What are the key properties of 4-(2-hydroxyethylamino)oxy-3-methoxybenzaldehyde?
4-(2-hydroxyethylamino)oxy-3-methoxybenzaldehyde has a molecular weight of 211.22 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)oxy-3-methoxybenzaldehyde is sourced from PubChem (CID 91472552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).