(4-hydroxy-2-methylphenyl)arsonic acid

C7H9AsO4 — CID 154243287

IUPAC(4-hydroxy-2-methylphenyl)arsonic acid
SMILESCc1cc(O)ccc1[As](=O)(O)O
InChIInChI=1S/C7H9AsO4/c1-5-4-6(9)2-3-7(5)8(10,11)12/h2-4,9H,1H3,(H2,10,11,12)
InChIKeyWGYRRNNKZSMTBN-UHFFFAOYSA-N
MW232.07 g/mol
LogP-0.74
Rot. Bonds1

About (4-hydroxy-2-methylphenyl)arsonic acid

(4-hydroxy-2-methylphenyl)arsonic acid (PubChem CID 154243287) has the molecular formula C7H9AsO4 and a molecular weight of 232.07 g/mol. Its IUPAC name is (4-hydroxy-2-methylphenyl)arsonic acid.

Molecular Properties

Compound Name(4-hydroxy-2-methylphenyl)arsonic acid
PubChem CID154243287
Molecular FormulaC7H9AsO4
Molecular Weight232.07 g/mol
Exact Mass231.97
IUPAC Name(4-hydroxy-2-methylphenyl)arsonic acid
SMILESCc1cc(O)ccc1[As](=O)(O)O
InChIInChI=1S/C7H9AsO4/c1-5-4-6(9)2-3-7(5)8(10,11)12/h2-4,9H,1H3,(H2,10,11,12)
InChIKeyWGYRRNNKZSMTBN-UHFFFAOYSA-N
XLogP-0.74
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methylphenyl)arsonic acid?
The IUPAC name of (4-hydroxy-2-methylphenyl)arsonic acid (CID 154243287) is (4-hydroxy-2-methylphenyl)arsonic acid.
What is the SMILES notation for (4-hydroxy-2-methylphenyl)arsonic acid?
The canonical SMILES for (4-hydroxy-2-methylphenyl)arsonic acid is Cc1cc(O)ccc1[As](=O)(O)O.
What is the InChIKey of (4-hydroxy-2-methylphenyl)arsonic acid?
The InChIKey is WGYRRNNKZSMTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9AsO4/c1-5-4-6(9)2-3-7(5)8(10,11)12/h2-4,9H,1H3,(H2,10,11,12).
What are the key properties of (4-hydroxy-2-methylphenyl)arsonic acid?
(4-hydroxy-2-methylphenyl)arsonic acid has a molecular weight of 232.07 g/mol, XLogP of -0.74, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methylphenyl)arsonic acid is sourced from PubChem (CID 154243287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).