2-dimethoxyphosphorylethyl benzoate

C11H15O5P — CID 174516392

IUPAC2-dimethoxyphosphorylethyl benzoate
SMILESCOP(=O)(CCOC(=O)c1ccccc1)OC
InChIInChI=1S/C11H15O5P/c1-14-17(13,15-2)9-8-16-11(12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyMJVXVPRVDRPTDL-UHFFFAOYSA-N
MW258.21 g/mol
LogP2.33
Rot. Bonds6

About 2-dimethoxyphosphorylethyl benzoate

2-dimethoxyphosphorylethyl benzoate (PubChem CID 174516392) has the molecular formula C11H15O5P and a molecular weight of 258.21 g/mol. Its IUPAC name is 2-dimethoxyphosphorylethyl benzoate.

Molecular Properties

Compound Name2-dimethoxyphosphorylethyl benzoate
PubChem CID174516392
Molecular FormulaC11H15O5P
Molecular Weight258.21 g/mol
Exact Mass258.07
IUPAC Name2-dimethoxyphosphorylethyl benzoate
SMILESCOP(=O)(CCOC(=O)c1ccccc1)OC
InChIInChI=1S/C11H15O5P/c1-14-17(13,15-2)9-8-16-11(12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyMJVXVPRVDRPTDL-UHFFFAOYSA-N
XLogP2.33
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 52.33
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

azane;2-methoxyethyl benzoate
CID 174560204
2-benzoyloxyethyl benzoate;ethene
CID 67969171
2-(methylamino)ethyl benzoate
CID 158644589
butyl benzoate;methane
CID 174523775
2,2-bis(2-dimethoxyphosphorylethoxy)-1,2-diphenylethanone
CID 21312878
2-methoxyethoxymethyl benzoate
CID 11275823
2-methoxyethyl 4-benzoyloxybenzoate
CID 17162027
3-oxobutyl benzoate
CID 10899468
(111C)butyl benzoate
CID 11994383
3-benzoyloxypropanoic acid
CID 21263483
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphorylethyl benzoate?
The IUPAC name of 2-dimethoxyphosphorylethyl benzoate (CID 174516392) is 2-dimethoxyphosphorylethyl benzoate.
What is the SMILES notation for 2-dimethoxyphosphorylethyl benzoate?
The canonical SMILES for 2-dimethoxyphosphorylethyl benzoate is COP(=O)(CCOC(=O)c1ccccc1)OC.
What is the InChIKey of 2-dimethoxyphosphorylethyl benzoate?
The InChIKey is MJVXVPRVDRPTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O5P/c1-14-17(13,15-2)9-8-16-11(12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-dimethoxyphosphorylethyl benzoate?
2-dimethoxyphosphorylethyl benzoate has a molecular weight of 258.21 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphorylethyl benzoate is sourced from PubChem (CID 174516392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).