(2-hydroxy-5-methylphenyl)arsonic acid

C7H9AsO4 — CID 20978299

IUPAC(2-hydroxy-5-methylphenyl)arsonic acid
SMILESCc1ccc(O)c([As](=O)(O)O)c1
InChIInChI=1S/C7H9AsO4/c1-5-2-3-7(9)6(4-5)8(10,11)12/h2-4,9H,1H3,(H2,10,11,12)
InChIKeyPUTAVUXBMIOJDT-UHFFFAOYSA-N
MW232.07 g/mol
LogP-0.74
Rot. Bonds1

About (2-hydroxy-5-methylphenyl)arsonic acid

(2-hydroxy-5-methylphenyl)arsonic acid (PubChem CID 20978299) has the molecular formula C7H9AsO4 and a molecular weight of 232.07 g/mol. Its IUPAC name is (2-hydroxy-5-methylphenyl)arsonic acid.

Molecular Properties

Compound Name(2-hydroxy-5-methylphenyl)arsonic acid
PubChem CID20978299
Molecular FormulaC7H9AsO4
Molecular Weight232.07 g/mol
Exact Mass231.97
IUPAC Name(2-hydroxy-5-methylphenyl)arsonic acid
SMILESCc1ccc(O)c([As](=O)(O)O)c1
InChIInChI=1S/C7H9AsO4/c1-5-2-3-7(9)6(4-5)8(10,11)12/h2-4,9H,1H3,(H2,10,11,12)
InChIKeyPUTAVUXBMIOJDT-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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Related Compounds

CID 172763014
CID 172763014
2,4-dimethylphenol
CID 67713801
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
(4-hydroxy-2-methylphenyl)arsonic acid
CID 154243287
(5-acetamido-2-hydroxyphenyl)arsonic acid;pyrimidine
CID 174391050
2,4-dimethylphenol;yttrium
CID 87733318
CID 175892141
CID 175892141
(3-acetamido-4-hydroxyphenyl)arsonic acid;4-methylphenol
CID 174289113
sodium;(5-acetamido-2-hydroxyphenyl)arsonic acid;benzoic acid;hydride
CID 174378111
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
2-hydroxy-N,5-dimethylbenzenesulfonamide
CID 70460413
4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
CID 154108469

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methylphenyl)arsonic acid?
The IUPAC name of (2-hydroxy-5-methylphenyl)arsonic acid (CID 20978299) is (2-hydroxy-5-methylphenyl)arsonic acid.
What is the SMILES notation for (2-hydroxy-5-methylphenyl)arsonic acid?
The canonical SMILES for (2-hydroxy-5-methylphenyl)arsonic acid is Cc1ccc(O)c([As](=O)(O)O)c1.
What is the InChIKey of (2-hydroxy-5-methylphenyl)arsonic acid?
The InChIKey is PUTAVUXBMIOJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9AsO4/c1-5-2-3-7(9)6(4-5)8(10,11)12/h2-4,9H,1H3,(H2,10,11,12).
What are the key properties of (2-hydroxy-5-methylphenyl)arsonic acid?
(2-hydroxy-5-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 (2-hydroxy-5-methylphenyl)arsonic acid is sourced from PubChem (CID 20978299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).