(3-acetyl-2-hydroxyphenyl)azanium

C8H10NO2+ — CID 58330574

IUPAC(3-acetyl-2-hydroxyphenyl)azanium
SMILESCC(=O)c1cccc([NH3+])c1O
InChIInChI=1S/C8H9NO2/c1-5(10)6-3-2-4-7(9)8(6)11/h2-4,11H,9H2,1H3/p+1
InChIKeyNLLYXOVHEQVWJF-UHFFFAOYSA-O
MW152.17 g/mol
LogP0.47
Rot. Bonds1

About (3-acetyl-2-hydroxyphenyl)azanium

(3-acetyl-2-hydroxyphenyl)azanium (PubChem CID 58330574) has the molecular formula C8H10NO2+ and a molecular weight of 152.17 g/mol. Its IUPAC name is (3-acetyl-2-hydroxyphenyl)azanium.

Molecular Properties

Compound Name(3-acetyl-2-hydroxyphenyl)azanium
PubChem CID58330574
Molecular FormulaC8H10NO2+
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name(3-acetyl-2-hydroxyphenyl)azanium
SMILESCC(=O)c1cccc([NH3+])c1O
InChIInChI=1S/C8H9NO2/c1-5(10)6-3-2-4-7(9)8(6)11/h2-4,11H,9H2,1H3/p+1
InChIKeyNLLYXOVHEQVWJF-UHFFFAOYSA-O
XLogP0.47
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-carboxy-2-hydroxyphenyl)azanium chloride
CID 84820764
3-acetyl-2-hydroxybenzaldehyde
CID 10975813
potassium;3-acetyl-2-hydroxybenzoate;dihydrate
CID 67923270
1-(2-hydroxy-3-nitrosophenyl)ethanone
CID 152988503
1-(3-aminooxy-2-hydroxyphenyl)ethanone
CID 174471693
1-(2-acetylphenyl)ethanone;methane
CID 158210616
3-[(3-acetyl-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
CID 67076238
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
1-[2-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone
CID 44604289
3-acetyl-2-hydroxybenzoic acid;2-phenylguanidine
CID 70542552
1-aminoethyl 3-acetyl-2-hydroxybenzoate
CID 68765153

Frequently Asked Questions

What is the IUPAC name of (3-acetyl-2-hydroxyphenyl)azanium?
The IUPAC name of (3-acetyl-2-hydroxyphenyl)azanium (CID 58330574) is (3-acetyl-2-hydroxyphenyl)azanium.
What is the SMILES notation for (3-acetyl-2-hydroxyphenyl)azanium?
The canonical SMILES for (3-acetyl-2-hydroxyphenyl)azanium is CC(=O)c1cccc([NH3+])c1O.
What is the InChIKey of (3-acetyl-2-hydroxyphenyl)azanium?
The InChIKey is NLLYXOVHEQVWJF-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9NO2/c1-5(10)6-3-2-4-7(9)8(6)11/h2-4,11H,9H2,1H3/p+1.
What are the key properties of (3-acetyl-2-hydroxyphenyl)azanium?
(3-acetyl-2-hydroxyphenyl)azanium has a molecular weight of 152.17 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyl-2-hydroxyphenyl)azanium is sourced from PubChem (CID 58330574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).