2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone

C12H17O5P — CID 122232536

IUPAC2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
SMILESCCOP(=O)(OCC)C(O)C(=O)c1ccccc1
InChIInChI=1S/C12H17O5P/c1-3-16-18(15,17-4-2)12(14)11(13)10-8-6-5-7-9-10/h5-9,12,14H,3-4H2,1-2H3
InChIKeyRQIYHPCNVSFLRH-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.45
Rot. Bonds7

About 2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone

2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone (PubChem CID 122232536) has the molecular formula C12H17O5P and a molecular weight of 272.24 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone.

Molecular Properties

Compound Name2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
PubChem CID122232536
Molecular FormulaC12H17O5P
Molecular Weight272.24 g/mol
Exact Mass272.08
IUPAC Name2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
SMILESCCOP(=O)(OCC)C(O)C(=O)c1ccccc1
InChIInChI=1S/C12H17O5P/c1-3-16-18(15,17-4-2)12(14)11(13)10-8-6-5-7-9-10/h5-9,12,14H,3-4H2,1-2H3
InChIKeyRQIYHPCNVSFLRH-UHFFFAOYSA-N
XLogP2.45
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.45
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

methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate
CID 2133146
(2R,3S)-3-diethoxyphosphoryl-3-(dimethylamino)-2-methyl-1-phenylpropan-1-one
CID 11771778
[(1R)-1-diethoxyphosphorylethyl] benzoate
CID 101479504
N-[(1S)-1-diethoxyphosphoryl-2-oxoethyl]benzamide
CID 40537671
N-(2,2-dichloro-1-diethoxyphosphoryl-3-oxo-3-phenylpropyl)acetamide
CID 2784690
1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
(2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one
CID 11861697
N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide
CID 2324721
N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide
CID 14923152
2-ethoxy-3-oxo-3-phenylpropanoic acid
CID 154323938
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559
N-diethoxyphosphinothioylbenzamide
CID 131847254

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone?
The IUPAC name of 2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone (CID 122232536) is 2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone.
What is the SMILES notation for 2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone?
The canonical SMILES for 2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone is CCOP(=O)(OCC)C(O)C(=O)c1ccccc1.
What is the InChIKey of 2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone?
The InChIKey is RQIYHPCNVSFLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O5P/c1-3-16-18(15,17-4-2)12(14)11(13)10-8-6-5-7-9-10/h5-9,12,14H,3-4H2,1-2H3.
What are the key properties of 2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone?
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone has a molecular weight of 272.24 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone is sourced from PubChem (CID 122232536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).