2-[3-(aminooxymethyl)phenoxy]acetaldehyde

C9H11NO3 — CID 130193211

IUPAC2-[3-(aminooxymethyl)phenoxy]acetaldehyde
SMILESNOCc1cccc(OCC=O)c1
InChIInChI=1S/C9H11NO3/c10-13-7-8-2-1-3-9(6-8)12-5-4-11/h1-4,6H,5,7,10H2
InChIKeyFYENNTMSSHXZIG-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.65
Rot. Bonds5

About 2-[3-(aminooxymethyl)phenoxy]acetaldehyde

2-[3-(aminooxymethyl)phenoxy]acetaldehyde (PubChem CID 130193211) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[3-(aminooxymethyl)phenoxy]acetaldehyde.

Molecular Properties

Compound Name2-[3-(aminooxymethyl)phenoxy]acetaldehyde
PubChem CID130193211
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-[3-(aminooxymethyl)phenoxy]acetaldehyde
SMILESNOCc1cccc(OCC=O)c1
InChIInChI=1S/C9H11NO3/c10-13-7-8-2-1-3-9(6-8)12-5-4-11/h1-4,6H,5,7,10H2
InChIKeyFYENNTMSSHXZIG-UHFFFAOYSA-N
XLogP0.65
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
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

2-[3-(2-aminoethoxy)phenoxy]acetaldehyde
CID 163403817
2-(3-methoxyphenoxy)acetaldehyde
CID 15692237
2-(3-iodophenoxy)acetaldehyde
CID 54101837
methanamine;3-(2-oxoethoxy)benzaldehyde
CID 169139038
2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde
CID 54183396
2-(3-propoxyphenoxy)acetaldehyde
CID 158555885
[3-(hydroxymethoxy)phenyl]methyl formate
CID 57136163
2-naphthalen-2-yloxyacetaldehyde
CID 15670594
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
[3-(nitrooxymethyl)phenyl] 2-oxoethyl carbonate
CID 91015096
O-[(3-iodophenyl)methyl]hydroxylamine
CID 25137641
O-[[3-(oxetan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117285119

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminooxymethyl)phenoxy]acetaldehyde?
The IUPAC name of 2-[3-(aminooxymethyl)phenoxy]acetaldehyde (CID 130193211) is 2-[3-(aminooxymethyl)phenoxy]acetaldehyde.
What is the SMILES notation for 2-[3-(aminooxymethyl)phenoxy]acetaldehyde?
The canonical SMILES for 2-[3-(aminooxymethyl)phenoxy]acetaldehyde is NOCc1cccc(OCC=O)c1.
What is the InChIKey of 2-[3-(aminooxymethyl)phenoxy]acetaldehyde?
The InChIKey is FYENNTMSSHXZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c10-13-7-8-2-1-3-9(6-8)12-5-4-11/h1-4,6H,5,7,10H2.
What are the key properties of 2-[3-(aminooxymethyl)phenoxy]acetaldehyde?
2-[3-(aminooxymethyl)phenoxy]acetaldehyde has a molecular weight of 181.19 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminooxymethyl)phenoxy]acetaldehyde is sourced from PubChem (CID 130193211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).