benzyl 2-dimethylphosphoryloxyacetate

C11H15O4P — CID 59427280

IUPACbenzyl 2-dimethylphosphoryloxyacetate
SMILESCP(C)(=O)OCC(=O)OCc1ccccc1
InChIInChI=1S/C11H15O4P/c1-16(2,13)15-9-11(12)14-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyWEHGNLLNXSFGED-UHFFFAOYSA-N
MW242.21 g/mol
LogP2.28
Rot. Bonds5

About benzyl 2-dimethylphosphoryloxyacetate

benzyl 2-dimethylphosphoryloxyacetate (PubChem CID 59427280) has the molecular formula C11H15O4P and a molecular weight of 242.21 g/mol. Its IUPAC name is benzyl 2-dimethylphosphoryloxyacetate.

Molecular Properties

Compound Namebenzyl 2-dimethylphosphoryloxyacetate
PubChem CID59427280
Molecular FormulaC11H15O4P
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Namebenzyl 2-dimethylphosphoryloxyacetate
SMILESCP(C)(=O)OCC(=O)OCc1ccccc1
InChIInChI=1S/C11H15O4P/c1-16(2,13)15-9-11(12)14-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyWEHGNLLNXSFGED-UHFFFAOYSA-N
XLogP2.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate
CID 20645227
benzyl 2-bis(phenylmethoxy)phosphorylacetate
CID 87986424
benzyl propanoate;hydrochloride
CID 140986165
azanium (2-oxo-2-phenylmethoxyethyl)phosphonic acid
CID 21123143
benzyl 2-aminoacetate
CID 122130027
benzyl 2-(2-chloro-2-oxoethoxy)acetate
CID 86175241
2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid
CID 158939829
benzyl 2-[[2-bis(phenylmethoxy)phosphoryloxyacetyl]-methylamino]acetate
CID 137471427
(3-oxo-3-phenylmethoxypropoxy)phosphonamidic acid
CID 154500880
benzyl 2-chloroacetate
CID 8786
benzyl 2-aminoacetate;hydrochloride
CID 11701227
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791

Frequently Asked Questions

What is the IUPAC name of benzyl 2-dimethylphosphoryloxyacetate?
The IUPAC name of benzyl 2-dimethylphosphoryloxyacetate (CID 59427280) is benzyl 2-dimethylphosphoryloxyacetate.
What is the SMILES notation for benzyl 2-dimethylphosphoryloxyacetate?
The canonical SMILES for benzyl 2-dimethylphosphoryloxyacetate is CP(C)(=O)OCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-dimethylphosphoryloxyacetate?
The InChIKey is WEHGNLLNXSFGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O4P/c1-16(2,13)15-9-11(12)14-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of benzyl 2-dimethylphosphoryloxyacetate?
benzyl 2-dimethylphosphoryloxyacetate has a molecular weight of 242.21 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-dimethylphosphoryloxyacetate is sourced from PubChem (CID 59427280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).