2-(2-aminooxyethyl)-5-hydroxybenzaldehyde

C9H11NO3 — CID 117278592

IUPAC2-(2-aminooxyethyl)-5-hydroxybenzaldehyde
SMILESNOCCc1ccc(O)cc1C=O
InChIInChI=1S/C9H11NO3/c10-13-4-3-7-1-2-9(12)5-8(7)6-11/h1-2,5-6,12H,3-4,10H2
InChIKeyOCXDQOZPYOONOG-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.64
Rot. Bonds4

About 2-(2-aminooxyethyl)-5-hydroxybenzaldehyde

2-(2-aminooxyethyl)-5-hydroxybenzaldehyde (PubChem CID 117278592) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(2-aminooxyethyl)-5-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-(2-aminooxyethyl)-5-hydroxybenzaldehyde
PubChem CID117278592
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(2-aminooxyethyl)-5-hydroxybenzaldehyde
SMILESNOCCc1ccc(O)cc1C=O
InChIInChI=1S/C9H11NO3/c10-13-4-3-7-1-2-9(12)5-8(7)6-11/h1-2,5-6,12H,3-4,10H2
InChIKeyOCXDQOZPYOONOG-UHFFFAOYSA-N
XLogP0.64
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-(3-hydroxypropyl)benzaldehyde
CID 117278294
2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde
CID 57260630
4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol
CID 117315125
2-(2-aminooxyethyl)-4-methoxybenzaldehyde
CID 117285082
5-hydroxy-2-[(1-hydroxycyclopropyl)methyl]benzaldehyde
CID 117282871
2,5-bis(2-methoxyethyl)benzaldehyde
CID 123268427
ethane;4-hydroxyphthalaldehyde
CID 90973394
2-(aminooxymethyl)-5-methoxybenzaldehyde
CID 117278594
2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde
CID 82408568
3-(2-aminooxyethyl)phenol
CID 83479668
3-(2-formyl-5-hydroxyphenyl)propanoic acid
CID 117284284
4-(2-aminooxyethyl)-2,3-dimethylphenol
CID 117278812

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminooxyethyl)-5-hydroxybenzaldehyde?
The IUPAC name of 2-(2-aminooxyethyl)-5-hydroxybenzaldehyde (CID 117278592) is 2-(2-aminooxyethyl)-5-hydroxybenzaldehyde.
What is the SMILES notation for 2-(2-aminooxyethyl)-5-hydroxybenzaldehyde?
The canonical SMILES for 2-(2-aminooxyethyl)-5-hydroxybenzaldehyde is NOCCc1ccc(O)cc1C=O.
What is the InChIKey of 2-(2-aminooxyethyl)-5-hydroxybenzaldehyde?
The InChIKey is OCXDQOZPYOONOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c10-13-4-3-7-1-2-9(12)5-8(7)6-11/h1-2,5-6,12H,3-4,10H2.
What are the key properties of 2-(2-aminooxyethyl)-5-hydroxybenzaldehyde?
2-(2-aminooxyethyl)-5-hydroxybenzaldehyde has a molecular weight of 181.19 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminooxyethyl)-5-hydroxybenzaldehyde is sourced from PubChem (CID 117278592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).