ethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate

C10H11O6P — CID 151175243

IUPACethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate
SMILESCCOC(=O)Cc1cccc2c1OP(=O)(O)O2
InChIInChI=1S/C10H11O6P/c1-2-14-9(11)6-7-4-3-5-8-10(7)16-17(12,13)15-8/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyNDDBKCDAELTXDO-UHFFFAOYSA-N
MW258.17 g/mol
LogP1.66
Rot. Bonds3

About ethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate

ethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate (PubChem CID 151175243) has the molecular formula C10H11O6P and a molecular weight of 258.17 g/mol. Its IUPAC name is ethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate
PubChem CID151175243
Molecular FormulaC10H11O6P
Molecular Weight258.17 g/mol
Exact Mass258.03
IUPAC Nameethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate
SMILESCCOC(=O)Cc1cccc2c1OP(=O)(O)O2
InChIInChI=1S/C10H11O6P/c1-2-14-9(11)6-7-4-3-5-8-10(7)16-17(12,13)15-8/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyNDDBKCDAELTXDO-UHFFFAOYSA-N
XLogP1.66
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-oxo-1,3,2lambda5-benzodioxaphosphol-2-yl)acetate
CID 15584654
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate
CID 114746699
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
ethyl 2-[2-(2-methylpropyl)phenyl]acetate
CID 105476130
ethyl 2-[2-(chloromethyl)phenyl]acetate
CID 13386156
ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
CID 140674199
ethyl 2-[2-(diethylcarbamothioylsulfanyl)phenyl]acetate
CID 134280825
2-(2-ethoxy-2-oxoethyl)benzoic acid
CID 11367771
ethyl 2-[3-methyl-2-(trifluoromethyl)phenyl]acetate
CID 134633126
ethyl 2-[3-sulfanyl-2-(trifluoromethoxy)phenyl]acetate
CID 170999403
ethyl 2-[3-(2-bromopropanoyl)-2-methylphenyl]acetate
CID 134614855

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate?
The IUPAC name of ethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate (CID 151175243) is ethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate is CCOC(=O)Cc1cccc2c1OP(=O)(O)O2.
What is the InChIKey of ethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate?
The InChIKey is NDDBKCDAELTXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O6P/c1-2-14-9(11)6-7-4-3-5-8-10(7)16-17(12,13)15-8/h3-5H,2,6H2,1H3,(H,12,13).
What are the key properties of ethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate?
ethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate has a molecular weight of 258.17 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate is sourced from PubChem (CID 151175243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).