(4-hydroxyphenoxy)arsonic acid

C6H7AsO5 — CID 141279601

IUPAC(4-hydroxyphenoxy)arsonic acid
SMILESO=[As](O)(O)Oc1ccc(O)cc1
InChIInChI=1S/C6H7AsO5/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4,8H,(H2,9,10,11)
InChIKeyVOVFQZGMXWOXRH-UHFFFAOYSA-N
MW234.04 g/mol
LogP-0.38
Rot. Bonds2

About (4-hydroxyphenoxy)arsonic acid

(4-hydroxyphenoxy)arsonic acid (PubChem CID 141279601) has the molecular formula C6H7AsO5 and a molecular weight of 234.04 g/mol. Its IUPAC name is (4-hydroxyphenoxy)arsonic acid.

Molecular Properties

Compound Name(4-hydroxyphenoxy)arsonic acid
PubChem CID141279601
Molecular FormulaC6H7AsO5
Molecular Weight234.04 g/mol
Exact Mass233.95
IUPAC Name(4-hydroxyphenoxy)arsonic acid
SMILESO=[As](O)(O)Oc1ccc(O)cc1
InChIInChI=1S/C6H7AsO5/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4,8H,(H2,9,10,11)
InChIKeyVOVFQZGMXWOXRH-UHFFFAOYSA-N
XLogP-0.38
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(4-(4-hydroxyphenoxy)phenol);hydrate
CID 67711282
ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol
CID 68628937
CID 162428523
CID 162428523
4-aminooxyphenol
CID 67279043
methane;4-methoxyphenol
CID 159494332
argon;benzene-1,4-diol
CID 71441175
CID 158795306
CID 158795306
benzene-1,4-diol;hydron
CID 137356428
(4-hydroxyphenyl) sulfite
CID 22003406
(4-hydroxyphenyl) methanesulfonate
CID 572998
bis(benzene-1,4-diol);carbonic acid
CID 68999082
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenoxy)arsonic acid?
The IUPAC name of (4-hydroxyphenoxy)arsonic acid (CID 141279601) is (4-hydroxyphenoxy)arsonic acid.
What is the SMILES notation for (4-hydroxyphenoxy)arsonic acid?
The canonical SMILES for (4-hydroxyphenoxy)arsonic acid is O=[As](O)(O)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenoxy)arsonic acid?
The InChIKey is VOVFQZGMXWOXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7AsO5/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4,8H,(H2,9,10,11).
What are the key properties of (4-hydroxyphenoxy)arsonic acid?
(4-hydroxyphenoxy)arsonic acid has a molecular weight of 234.04 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenoxy)arsonic acid is sourced from PubChem (CID 141279601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).