(2-methoxy-2-oxoethyl)-triphenylarsanium

C21H20AsO2+ — CID 3097451

IUPAC(2-methoxy-2-oxoethyl)-triphenylarsanium
SMILESCOC(=O)C[As+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20AsO2/c1-24-21(23)17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3/q+1
InChIKeyUIMSGZWHURSXNP-UHFFFAOYSA-N
MW379.31 g/mol
LogP2.33
Rot. Bonds5

About (2-methoxy-2-oxoethyl)-triphenylarsanium

(2-methoxy-2-oxoethyl)-triphenylarsanium (PubChem CID 3097451) has the molecular formula C21H20AsO2+ and a molecular weight of 379.31 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl)-triphenylarsanium.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl)-triphenylarsanium
PubChem CID3097451
Molecular FormulaC21H20AsO2+
Molecular Weight379.31 g/mol
Exact Mass379.07
IUPAC Name(2-methoxy-2-oxoethyl)-triphenylarsanium
SMILESCOC(=O)C[As+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20AsO2/c1-24-21(23)17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3/q+1
InChIKeyUIMSGZWHURSXNP-UHFFFAOYSA-N
XLogP2.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-oxo-4-phenylmethoxybutanoate
CID 12768799
CID 172801156
CID 172801156
methyl 2-anilinooxyacetate
CID 154072974
CID 172688243
CID 172688243
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
methyl 3-benzamido-3-oxopropanoate
CID 11345054
methyl (E)-3-phenylpent-3-enoate
CID 10012736
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
carbon dioxide;methyl 2-phenylacetate
CID 159198536
2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
chlorobenzene;methyl 2-bromoacetate
CID 87617640

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl)-triphenylarsanium?
The IUPAC name of (2-methoxy-2-oxoethyl)-triphenylarsanium (CID 3097451) is (2-methoxy-2-oxoethyl)-triphenylarsanium.
What is the SMILES notation for (2-methoxy-2-oxoethyl)-triphenylarsanium?
The canonical SMILES for (2-methoxy-2-oxoethyl)-triphenylarsanium is COC(=O)C[As+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-methoxy-2-oxoethyl)-triphenylarsanium?
The InChIKey is UIMSGZWHURSXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20AsO2/c1-24-21(23)17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3/q+1.
What are the key properties of (2-methoxy-2-oxoethyl)-triphenylarsanium?
(2-methoxy-2-oxoethyl)-triphenylarsanium has a molecular weight of 379.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl)-triphenylarsanium is sourced from PubChem (CID 3097451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).