ethyl 2-(2-oxo-1,3,2lambda5-benzodioxaphosphol-2-yl)acetate

C10H11O5P — CID 15584654

IUPACethyl 2-(2-oxo-1,3,2lambda5-benzodioxaphosphol-2-yl)acetate
SMILESCCOC(=O)CP1(=O)Oc2ccccc2O1
InChIInChI=1S/C10H11O5P/c1-2-13-10(11)7-16(12)14-8-5-3-4-6-9(8)15-16/h3-6H,2,7H2,1H3
InChIKeyQRJCDBYFXIYSRI-UHFFFAOYSA-N
MW242.17 g/mol
LogP2.21
Rot. Bonds3

About ethyl 2-(2-oxo-1,3,2lambda5-benzodioxaphosphol-2-yl)acetate

ethyl 2-(2-oxo-1,3,2lambda5-benzodioxaphosphol-2-yl)acetate (PubChem CID 15584654) has the molecular formula C10H11O5P and a molecular weight of 242.17 g/mol. Its IUPAC name is ethyl 2-(2-oxo-1,3,2lambda5-benzodioxaphosphol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxo-1,3,2lambda5-benzodioxaphosphol-2-yl)acetate
PubChem CID15584654
Molecular FormulaC10H11O5P
Molecular Weight242.17 g/mol
Exact Mass242.03
IUPAC Nameethyl 2-(2-oxo-1,3,2lambda5-benzodioxaphosphol-2-yl)acetate
SMILESCCOC(=O)CP1(=O)Oc2ccccc2O1
InChIInChI=1S/C10H11O5P/c1-2-13-10(11)7-16(12)14-8-5-3-4-6-9(8)15-16/h3-6H,2,7H2,1H3
InChIKeyQRJCDBYFXIYSRI-UHFFFAOYSA-N
XLogP2.21
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.17
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate
CID 151175243
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-phenylacetate
CID 7590
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-phenylacetate;hydrate
CID 141257001
(2-ethoxy-2-oxoethyl)-diphenylsulfanium
CID 15442561
ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate
CID 66650377
N,N-dimethylaniline;ethyl 2-aminoacetate
CID 174495467
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
ethyl 2-(3,4-dimethyl-1-sulfanylidene-1λ5-phosphol-1-yl)acetate
CID 12705789
ethyl 2-triphenylstannylacetate
CID 4138734
ethyl 4-amino-2,3-dihydrochromene-4-carboxylate
CID 3944354

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxo-1,3,2lambda5-benzodioxaphosphol-2-yl)acetate?
The IUPAC name of ethyl 2-(2-oxo-1,3,2lambda5-benzodioxaphosphol-2-yl)acetate (CID 15584654) is ethyl 2-(2-oxo-1,3,2lambda5-benzodioxaphosphol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(2-oxo-1,3,2lambda5-benzodioxaphosphol-2-yl)acetate?
The canonical SMILES for ethyl 2-(2-oxo-1,3,2lambda5-benzodioxaphosphol-2-yl)acetate is CCOC(=O)CP1(=O)Oc2ccccc2O1.
What is the InChIKey of ethyl 2-(2-oxo-1,3,2lambda5-benzodioxaphosphol-2-yl)acetate?
The InChIKey is QRJCDBYFXIYSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O5P/c1-2-13-10(11)7-16(12)14-8-5-3-4-6-9(8)15-16/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-(2-oxo-1,3,2lambda5-benzodioxaphosphol-2-yl)acetate?
ethyl 2-(2-oxo-1,3,2lambda5-benzodioxaphosphol-2-yl)acetate has a molecular weight of 242.17 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxo-1,3,2lambda5-benzodioxaphosphol-2-yl)acetate is sourced from PubChem (CID 15584654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).