[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate

C20H25O7P — CID 10319264

IUPAC[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC(C(=O)c1ccccc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C20H25O7P/c1-5-25-28(22,26-6-2)27-20(19(21)15-10-8-7-9-11-15)16-12-17(23-3)14-18(13-16)24-4/h7-14,20H,5-6H2,1-4H3
InChIKeyDPTZJQWRWZLACG-UHFFFAOYSA-N
MW408.39 g/mol
LogP4.83
Rot. Bonds11

About [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate

[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate (PubChem CID 10319264) has the molecular formula C20H25O7P and a molecular weight of 408.39 g/mol. Its IUPAC name is [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate.

Molecular Properties

Compound Name[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate
PubChem CID10319264
Molecular FormulaC20H25O7P
Molecular Weight408.39 g/mol
Exact Mass408.13
IUPAC Name[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC(C(=O)c1ccccc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C20H25O7P/c1-5-25-28(22,26-6-2)27-20(19(21)15-10-8-7-9-11-15)16-12-17(23-3)14-18(13-16)24-4/h7-14,20H,5-6H2,1-4H3
InChIKeyDPTZJQWRWZLACG-UHFFFAOYSA-N
XLogP4.83
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate
CID 19390355
(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
CID 23855920
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
[1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate
CID 46198272
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate
CID 66645438
diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101
(1-diethoxyphosphoryloxy-2-iodoethyl) benzoate
CID 11732693
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644
methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate
CID 2133146

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate?
The IUPAC name of [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate (CID 10319264) is [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate.
What is the SMILES notation for [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate?
The canonical SMILES for [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate is CCOP(=O)(OCC)OC(C(=O)c1ccccc1)c1cc(OC)cc(OC)c1.
What is the InChIKey of [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate?
The InChIKey is DPTZJQWRWZLACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25O7P/c1-5-25-28(22,26-6-2)27-20(19(21)15-10-8-7-9-11-15)16-12-17(23-3)14-18(13-16)24-4/h7-14,20H,5-6H2,1-4H3.
What are the key properties of [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate?
[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate has a molecular weight of 408.39 g/mol, XLogP of 4.83, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate is sourced from PubChem (CID 10319264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).