1-(3-aminooxy-2-hydroxyphenyl)ethanone

C8H9NO3 — CID 174471693

IUPAC1-(3-aminooxy-2-hydroxyphenyl)ethanone
SMILESCC(=O)c1cccc(ON)c1O
InChIInChI=1S/C8H9NO3/c1-5(10)6-3-2-4-7(12-9)8(6)11/h2-4,11H,9H2,1H3
InChIKeySTPSXTQCCSZDQL-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.85
Rot. Bonds2

About 1-(3-aminooxy-2-hydroxyphenyl)ethanone

1-(3-aminooxy-2-hydroxyphenyl)ethanone (PubChem CID 174471693) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 1-(3-aminooxy-2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-aminooxy-2-hydroxyphenyl)ethanone
PubChem CID174471693
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name1-(3-aminooxy-2-hydroxyphenyl)ethanone
SMILESCC(=O)c1cccc(ON)c1O
InChIInChI=1S/C8H9NO3/c1-5(10)6-3-2-4-7(12-9)8(6)11/h2-4,11H,9H2,1H3
InChIKeySTPSXTQCCSZDQL-UHFFFAOYSA-N
XLogP0.85
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.85
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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Related Compounds

(3-acetyl-2-hydroxyphenyl)azanium
CID 58330574
3-acetyl-2-hydroxybenzaldehyde
CID 10975813
potassium;3-acetyl-2-hydroxybenzoate;dihydrate
CID 67923270
1-aminoethyl 3-acetyl-2-hydroxybenzoate
CID 68765153
1-(2-hydroxy-3-nitrosophenyl)ethanone
CID 152988503
2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid
CID 23318370
1-[2-amino-3-(aminomethoxy)phenyl]ethanone
CID 67709541
prop-2-enyl 2-hydroxy-3-methoxybenzoate
CID 142667265
2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide
CID 24773714
1-(2-hydroxy-3-methoxyphenyl)-3-methylbut-2-en-1-one
CID 13480864
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxy-2-hydroxyphenyl)ethanone?
The IUPAC name of 1-(3-aminooxy-2-hydroxyphenyl)ethanone (CID 174471693) is 1-(3-aminooxy-2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(3-aminooxy-2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(3-aminooxy-2-hydroxyphenyl)ethanone is CC(=O)c1cccc(ON)c1O.
What is the InChIKey of 1-(3-aminooxy-2-hydroxyphenyl)ethanone?
The InChIKey is STPSXTQCCSZDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5(10)6-3-2-4-7(12-9)8(6)11/h2-4,11H,9H2,1H3.
What are the key properties of 1-(3-aminooxy-2-hydroxyphenyl)ethanone?
1-(3-aminooxy-2-hydroxyphenyl)ethanone has a molecular weight of 167.16 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxy-2-hydroxyphenyl)ethanone is sourced from PubChem (CID 174471693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).