triphenyl arsorite

C18H15AsO3 — CID 597659

IUPACtriphenyl arsorite
SMILESc1ccc(O[As](Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C18H15AsO3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
InChIKeyPWLCTAFCDZYKEF-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.21
Rot. Bonds6

About triphenyl arsorite

triphenyl arsorite (PubChem CID 597659) has the molecular formula C18H15AsO3 and a molecular weight of 354.24 g/mol. Its IUPAC name is triphenyl arsorite.

Molecular Properties

Compound Nametriphenyl arsorite
PubChem CID597659
Molecular FormulaC18H15AsO3
Molecular Weight354.24 g/mol
Exact Mass354.02
IUPAC Nametriphenyl arsorite
SMILESc1ccc(O[As](Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C18H15AsO3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
InChIKeyPWLCTAFCDZYKEF-UHFFFAOYSA-N
XLogP4.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 triphenyl arsorite?
The IUPAC name of triphenyl arsorite (CID 597659) is triphenyl arsorite.
What is the SMILES notation for triphenyl arsorite?
The canonical SMILES for triphenyl arsorite is c1ccc(O[As](Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of triphenyl arsorite?
The InChIKey is PWLCTAFCDZYKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15AsO3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H.
What are the key properties of triphenyl arsorite?
triphenyl arsorite has a molecular weight of 354.24 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl arsorite is sourced from PubChem (CID 597659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).