1-(2-amino-5-hydroxyphenyl)ethanone

C8H9NO2 — CID 3084521

IUPAC1-(2-amino-5-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(O)ccc1N
InChIInChI=1S/C8H9NO2/c1-5(10)7-4-6(11)2-3-8(7)9/h2-4,11H,9H2,1H3
InChIKeyUAYRCOSFOXJQAB-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.18
Rot. Bonds1

About 1-(2-amino-5-hydroxyphenyl)ethanone

1-(2-amino-5-hydroxyphenyl)ethanone (PubChem CID 3084521) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-(2-amino-5-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-hydroxyphenyl)ethanone
PubChem CID3084521
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name1-(2-amino-5-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(O)ccc1N
InChIInChI=1S/C8H9NO2/c1-5(10)7-4-6(11)2-3-8(7)9/h2-4,11H,9H2,1H3
InChIKeyUAYRCOSFOXJQAB-UHFFFAOYSA-N
XLogP1.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-hydroxyphenyl)ethanone?
The IUPAC name of 1-(2-amino-5-hydroxyphenyl)ethanone (CID 3084521) is 1-(2-amino-5-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-5-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(2-amino-5-hydroxyphenyl)ethanone is CC(=O)c1cc(O)ccc1N.
What is the InChIKey of 1-(2-amino-5-hydroxyphenyl)ethanone?
The InChIKey is UAYRCOSFOXJQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5(10)7-4-6(11)2-3-8(7)9/h2-4,11H,9H2,1H3.
What are the key properties of 1-(2-amino-5-hydroxyphenyl)ethanone?
1-(2-amino-5-hydroxyphenyl)ethanone has a molecular weight of 151.16 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-hydroxyphenyl)ethanone is sourced from PubChem (CID 3084521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).