1-[2-(ethylaminooxy)-6-hydroxyphenyl]ethanone

C10H13NO3 — CID 163959299

IUPAC1-[2-(ethylaminooxy)-6-hydroxyphenyl]ethanone
SMILESCCNOc1cccc(O)c1C(C)=O
InChIInChI=1S/C10H13NO3/c1-3-11-14-9-6-4-5-8(13)10(9)7(2)12/h4-6,11,13H,3H2,1-2H3
InChIKeySGCWHUQRTBRJGU-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.50
Rot. Bonds4

About 1-[2-(ethylaminooxy)-6-hydroxyphenyl]ethanone

1-[2-(ethylaminooxy)-6-hydroxyphenyl]ethanone (PubChem CID 163959299) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-[2-(ethylaminooxy)-6-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(ethylaminooxy)-6-hydroxyphenyl]ethanone
PubChem CID163959299
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-[2-(ethylaminooxy)-6-hydroxyphenyl]ethanone
SMILESCCNOc1cccc(O)c1C(C)=O
InChIInChI=1S/C10H13NO3/c1-3-11-14-9-6-4-5-8(13)10(9)7(2)12/h4-6,11,13H,3H2,1-2H3
InChIKeySGCWHUQRTBRJGU-UHFFFAOYSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylaminooxy)-6-hydroxyphenyl]ethanone?
The IUPAC name of 1-[2-(ethylaminooxy)-6-hydroxyphenyl]ethanone (CID 163959299) is 1-[2-(ethylaminooxy)-6-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[2-(ethylaminooxy)-6-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[2-(ethylaminooxy)-6-hydroxyphenyl]ethanone is CCNOc1cccc(O)c1C(C)=O.
What is the InChIKey of 1-[2-(ethylaminooxy)-6-hydroxyphenyl]ethanone?
The InChIKey is SGCWHUQRTBRJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-11-14-9-6-4-5-8(13)10(9)7(2)12/h4-6,11,13H,3H2,1-2H3.
What are the key properties of 1-[2-(ethylaminooxy)-6-hydroxyphenyl]ethanone?
1-[2-(ethylaminooxy)-6-hydroxyphenyl]ethanone has a molecular weight of 195.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylaminooxy)-6-hydroxyphenyl]ethanone is sourced from PubChem (CID 163959299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).