triphenylstannyl 2-(2-nitrophenoxy)acetate

C26H21NO5Sn — CID 16706573

IUPACtriphenylstannyl 2-(2-nitrophenoxy)acetate
SMILESO=C(COc1ccccc1[N+](=O)[O-])O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C8H7NO5.3C6H5.Sn/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13;3*1-2-4-6-5-3-1;/h1-4H,5H2,(H,10,11);3*1-5H;/q;;;;+1/p-1
InChIKeyDKPWWFPHAKOGDN-UHFFFAOYSA-M
MW546.17 g/mol
LogP3.18
Rot. Bonds8

About triphenylstannyl 2-(2-nitrophenoxy)acetate

triphenylstannyl 2-(2-nitrophenoxy)acetate (PubChem CID 16706573) has the molecular formula C26H21NO5Sn and a molecular weight of 546.17 g/mol. Its IUPAC name is triphenylstannyl 2-(2-nitrophenoxy)acetate.

Molecular Properties

Compound Nametriphenylstannyl 2-(2-nitrophenoxy)acetate
PubChem CID16706573
Molecular FormulaC26H21NO5Sn
Molecular Weight546.17 g/mol
Exact Mass547.04
IUPAC Nametriphenylstannyl 2-(2-nitrophenoxy)acetate
SMILESO=C(COc1ccccc1[N+](=O)[O-])O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C8H7NO5.3C6H5.Sn/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13;3*1-2-4-6-5-3-1;/h1-4H,5H2,(H,10,11);3*1-5H;/q;;;;+1/p-1
InChIKeyDKPWWFPHAKOGDN-UHFFFAOYSA-M
XLogP3.18
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.17
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-fluorophenyl) 2-(2-nitrophenoxy)acetate
CID 7900804
(4-iodophenyl) 2-(2-nitrophenoxy)acetate
CID 7924345
[2-[2-[[2-[2-(2-nitrophenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 16540047
2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate
CID 7789050
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-nitrophenoxy)acetate
CID 9412966
[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(2-nitrophenoxy)acetate
CID 7788951
5-(2-nitrophenoxy)pentanoic acid
CID 28971679
1-benzothiophen-3-ylmethyl 2-(2-nitrophenoxy)acetate
CID 55886139
(2S)-2-(2-nitrophenoxy)propanoic acid
CID 841636
[2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate
CID 7788820
[(1S)-1-(2-chlorophenyl)ethyl] 2-(2-nitrophenoxy)acetate
CID 7889861

Frequently Asked Questions

What is the IUPAC name of triphenylstannyl 2-(2-nitrophenoxy)acetate?
The IUPAC name of triphenylstannyl 2-(2-nitrophenoxy)acetate (CID 16706573) is triphenylstannyl 2-(2-nitrophenoxy)acetate.
What is the SMILES notation for triphenylstannyl 2-(2-nitrophenoxy)acetate?
The canonical SMILES for triphenylstannyl 2-(2-nitrophenoxy)acetate is O=C(COc1ccccc1[N+](=O)[O-])O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenylstannyl 2-(2-nitrophenoxy)acetate?
The InChIKey is DKPWWFPHAKOGDN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7NO5.3C6H5.Sn/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13;3*1-2-4-6-5-3-1;/h1-4H,5H2,(H,10,11);3*1-5H;/q;;;;+1/p-1.
What are the key properties of triphenylstannyl 2-(2-nitrophenoxy)acetate?
triphenylstannyl 2-(2-nitrophenoxy)acetate has a molecular weight of 546.17 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylstannyl 2-(2-nitrophenoxy)acetate is sourced from PubChem (CID 16706573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).