(2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate

C11H13AsO5 — CID 173159456

IUPAC(2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate
SMILESCOC(=O)COC(=O)COc1ccc([AsH2])cc1
InChIInChI=1S/C11H13AsO5/c1-15-10(13)6-17-11(14)7-16-9-4-2-8(12)3-5-9/h2-5H,6-7,12H2,1H3
InChIKeyAOSGNVPDVIXVQG-UHFFFAOYSA-N
MW300.14 g/mol
LogP-0.96
Rot. Bonds5

About (2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate

(2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate (PubChem CID 173159456) has the molecular formula C11H13AsO5 and a molecular weight of 300.14 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate
PubChem CID173159456
Molecular FormulaC11H13AsO5
Molecular Weight300.14 g/mol
Exact Mass300.00
IUPAC Name(2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate
SMILESCOC(=O)COC(=O)COc1ccc([AsH2])cc1
InChIInChI=1S/C11H13AsO5/c1-15-10(13)6-17-11(14)7-16-9-4-2-8(12)3-5-9/h2-5H,6-7,12H2,1H3
InChIKeyAOSGNVPDVIXVQG-UHFFFAOYSA-N
XLogP-0.96
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate
CID 59253966
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
[4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride
CID 68860648
methyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 15674417
methyl 2-[4-(iodomethyl)phenoxy]acetate
CID 89385998
methyl 2-[4-[1,1-bis[4-(2-methoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]acetate
CID 11519263
sodium 4-(2-methoxy-2-oxoethoxy)benzenesulfinate
CID 165455868
methyl 2-pyridin-4-yloxyacetate
CID 90026078
methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745
methyl 2-(4-propylphenoxy)acetate
CID 19911850

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate (CID 173159456) is (2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate is COC(=O)COC(=O)COc1ccc([AsH2])cc1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate?
The InChIKey is AOSGNVPDVIXVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13AsO5/c1-15-10(13)6-17-11(14)7-16-9-4-2-8(12)3-5-9/h2-5H,6-7,12H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate?
(2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate has a molecular weight of 300.14 g/mol, XLogP of -0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate is sourced from PubChem (CID 173159456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).