ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate

C15H23O6P — CID 125466938

IUPACethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate
SMILESCCOC(=O)[C@H](c1ccc(OC)cc1)P(=O)(OCC)OCC
InChIInChI=1S/C15H23O6P/c1-5-19-15(16)14(22(17,20-6-2)21-7-3)12-8-10-13(18-4)11-9-12/h8-11,14H,5-7H2,1-4H3/t14-/m0/s1
InChIKeyXEPQYUVNSLFZMH-AWEZNQCLSA-N
MW330.32 g/mol
LogP3.57
Rot. Bonds9

About ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate

ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate (PubChem CID 125466938) has the molecular formula C15H23O6P and a molecular weight of 330.32 g/mol. Its IUPAC name is ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate
PubChem CID125466938
Molecular FormulaC15H23O6P
Molecular Weight330.32 g/mol
Exact Mass330.12
IUPAC Nameethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate
SMILESCCOC(=O)[C@H](c1ccc(OC)cc1)P(=O)(OCC)OCC
InChIInChI=1S/C15H23O6P/c1-5-19-15(16)14(22(17,20-6-2)21-7-3)12-8-10-13(18-4)11-9-12/h8-11,14H,5-7H2,1-4H3/t14-/m0/s1
InChIKeyXEPQYUVNSLFZMH-AWEZNQCLSA-N
XLogP3.57
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 71606452
ethyl (2S)-2-diethoxyphosphoryl-2-(3-methylphenyl)acetate
CID 125466808
ethyl 2-diethoxyphosphoryl-2-(3-fluorophenyl)acetate
CID 19920663
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene
CID 90848416
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethoxy-[(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]phosphinic acid
CID 102076632
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939
ethyl (3R)-3-amino-2-fluoro-3-(4-methoxyphenyl)propanoate;hydrochloride
CID 171239902
propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 163303603
1-N,3-N-bis[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 45258828

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate?
The IUPAC name of ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate (CID 125466938) is ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate.
What is the SMILES notation for ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate?
The canonical SMILES for ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate is CCOC(=O)[C@H](c1ccc(OC)cc1)P(=O)(OCC)OCC.
What is the InChIKey of ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate?
The InChIKey is XEPQYUVNSLFZMH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23O6P/c1-5-19-15(16)14(22(17,20-6-2)21-7-3)12-8-10-13(18-4)11-9-12/h8-11,14H,5-7H2,1-4H3/t14-/m0/s1.
What are the key properties of ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate?
ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate has a molecular weight of 330.32 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 125466938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).