(3-acetamido-4-hydroxyphenyl)arsonic acid

C8H10AsNO5 — CID 1985

💊View drug profile → acetarsol
IUPAC(3-acetamido-4-hydroxyphenyl)arsonic acid
SMILESCC(=O)Nc1cc([As](=O)(O)O)ccc1O
InChIInChI=1S/C8H10AsNO5/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H2,13,14,15)
InChIKeyODFJOVXVLFUVNQ-UHFFFAOYSA-N
MW275.09 g/mol
LogP-1.09
Rot. Bonds2

About (3-acetamido-4-hydroxyphenyl)arsonic acid

(3-acetamido-4-hydroxyphenyl)arsonic acid (PubChem CID 1985) has the molecular formula C8H10AsNO5 and a molecular weight of 275.09 g/mol. Its IUPAC name is (3-acetamido-4-hydroxyphenyl)arsonic acid.

Molecular Properties

Compound Name(3-acetamido-4-hydroxyphenyl)arsonic acid
PubChem CID1985
Molecular FormulaC8H10AsNO5
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name(3-acetamido-4-hydroxyphenyl)arsonic acid
SMILESCC(=O)Nc1cc([As](=O)(O)O)ccc1O
InChIInChI=1S/C8H10AsNO5/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H2,13,14,15)
InChIKeyODFJOVXVLFUVNQ-UHFFFAOYSA-N
XLogP-1.09
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Acetaminophen
CID 1983
2-Acetamidophenol
CID 11972
N-(2-Hydroxy-5-(4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl)phenyl)acetamide
CID 8414
N-(4-Hydroxyphenyl)propanamide
CID 74325
4'-Hydroxybutyranilide
CID 66874
4-Hydroxy-3-aminophenylarsonic acid
CID 16555
o-(Methylamino)phenol
CID 69138
N-(2-Hydroxy-5-methylphenyl)acetamide
CID 292583
2-Acetylamino-4-chlorophenol
CID 95258
2-Acetamido-4-bromophenol
CID 975084
2-Hydroxyacetaminophen sulfate
CID 86290013
Acetarsol sodium
CID 23668632

Frequently Asked Questions

What is the IUPAC name of (3-acetamido-4-hydroxyphenyl)arsonic acid?
The IUPAC name of (3-acetamido-4-hydroxyphenyl)arsonic acid (CID 1985) is (3-acetamido-4-hydroxyphenyl)arsonic acid.
What is the SMILES notation for (3-acetamido-4-hydroxyphenyl)arsonic acid?
The canonical SMILES for (3-acetamido-4-hydroxyphenyl)arsonic acid is CC(=O)Nc1cc([As](=O)(O)O)ccc1O.
What is the InChIKey of (3-acetamido-4-hydroxyphenyl)arsonic acid?
The InChIKey is ODFJOVXVLFUVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10AsNO5/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H2,13,14,15).
What are the key properties of (3-acetamido-4-hydroxyphenyl)arsonic acid?
(3-acetamido-4-hydroxyphenyl)arsonic acid has a molecular weight of 275.09 g/mol, XLogP of -1.09, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamido-4-hydroxyphenyl)arsonic acid is sourced from PubChem (CID 1985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).