4-aminooxy-1-(4-hydroxyphenyl)butane-1,3-dione

C10H11NO4 — CID 174683754

IUPAC4-aminooxy-1-(4-hydroxyphenyl)butane-1,3-dione
SMILESNOCC(=O)CC(=O)c1ccc(O)cc1
InChIInChI=1S/C10H11NO4/c11-15-6-9(13)5-10(14)7-1-3-8(12)4-2-7/h1-4,12H,5-6,11H2
InChIKeyXAIWSYVOCOGSDO-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.42
Rot. Bonds5

About 4-aminooxy-1-(4-hydroxyphenyl)butane-1,3-dione

4-aminooxy-1-(4-hydroxyphenyl)butane-1,3-dione (PubChem CID 174683754) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-aminooxy-1-(4-hydroxyphenyl)butane-1,3-dione.

Molecular Properties

Compound Name4-aminooxy-1-(4-hydroxyphenyl)butane-1,3-dione
PubChem CID174683754
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name4-aminooxy-1-(4-hydroxyphenyl)butane-1,3-dione
SMILESNOCC(=O)CC(=O)c1ccc(O)cc1
InChIInChI=1S/C10H11NO4/c11-15-6-9(13)5-10(14)7-1-3-8(12)4-2-7/h1-4,12H,5-6,11H2
InChIKeyXAIWSYVOCOGSDO-UHFFFAOYSA-N
XLogP0.42
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride
CID 131675810
3-(4-hydroxyphenyl)-3-oxo-N'-propanoylpropanehydrazide
CID 59961338
2-bromo-1-(4-hydroxyphenyl)ethanone;[2-(4-hydroxyphenyl)-2-oxoethyl] acetate
CID 157089552
sodium 2-bromo-1-(4-hydroxyphenyl)ethanone
CID 22027058
ethane;1-(4-hydroxyphenyl)propan-1-one
CID 144611752
4-[2-[2-[2-(2,4-dioxo-4-phenylbutoxy)ethoxy]ethoxy]ethoxy]-1-phenylbutane-1,3-dione
CID 101062104
1-(4-hydroxyphenyl)-3-iminobutan-1-one
CID 163876053
1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione
CID 10806921
1-(4-hydroxyphenyl)-4-methylhexane-1,3-dione
CID 66764212
4-amino-1-(4-chlorophenyl)butane-1,3-dione
CID 70490011
[2-(4-hydroxyphenyl)-2-oxoethyl] trifluoromethanesulfonate
CID 156612545
1,5-bis(4-tert-butylphenyl)pentane-1,3,5-trione
CID 66932735

Frequently Asked Questions

What is the IUPAC name of 4-aminooxy-1-(4-hydroxyphenyl)butane-1,3-dione?
The IUPAC name of 4-aminooxy-1-(4-hydroxyphenyl)butane-1,3-dione (CID 174683754) is 4-aminooxy-1-(4-hydroxyphenyl)butane-1,3-dione.
What is the SMILES notation for 4-aminooxy-1-(4-hydroxyphenyl)butane-1,3-dione?
The canonical SMILES for 4-aminooxy-1-(4-hydroxyphenyl)butane-1,3-dione is NOCC(=O)CC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-aminooxy-1-(4-hydroxyphenyl)butane-1,3-dione?
The InChIKey is XAIWSYVOCOGSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c11-15-6-9(13)5-10(14)7-1-3-8(12)4-2-7/h1-4,12H,5-6,11H2.
What are the key properties of 4-aminooxy-1-(4-hydroxyphenyl)butane-1,3-dione?
4-aminooxy-1-(4-hydroxyphenyl)butane-1,3-dione has a molecular weight of 209.20 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminooxy-1-(4-hydroxyphenyl)butane-1,3-dione is sourced from PubChem (CID 174683754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).