1-diethoxyphosphoryl-2-phenylethanone

C12H17O4P — CID 10868888

IUPAC1-diethoxyphosphoryl-2-phenylethanone
SMILESCCOP(=O)(OCC)C(=O)Cc1ccccc1
InChIInChI=1S/C12H17O4P/c1-3-15-17(14,16-4-2)12(13)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyGHKXPRDXJRTERV-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.02
Rot. Bonds7

About 1-diethoxyphosphoryl-2-phenylethanone

1-diethoxyphosphoryl-2-phenylethanone (PubChem CID 10868888) has the molecular formula C12H17O4P and a molecular weight of 256.24 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2-phenylethanone.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2-phenylethanone
PubChem CID10868888
Molecular FormulaC12H17O4P
Molecular Weight256.24 g/mol
Exact Mass256.09
IUPAC Name1-diethoxyphosphoryl-2-phenylethanone
SMILESCCOP(=O)(OCC)C(=O)Cc1ccccc1
InChIInChI=1S/C12H17O4P/c1-3-15-17(14,16-4-2)12(13)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyGHKXPRDXJRTERV-UHFFFAOYSA-N
XLogP3.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-2-phenylethanone?
The IUPAC name of 1-diethoxyphosphoryl-2-phenylethanone (CID 10868888) is 1-diethoxyphosphoryl-2-phenylethanone.
What is the SMILES notation for 1-diethoxyphosphoryl-2-phenylethanone?
The canonical SMILES for 1-diethoxyphosphoryl-2-phenylethanone is CCOP(=O)(OCC)C(=O)Cc1ccccc1.
What is the InChIKey of 1-diethoxyphosphoryl-2-phenylethanone?
The InChIKey is GHKXPRDXJRTERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O4P/c1-3-15-17(14,16-4-2)12(13)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-2-phenylethanone?
1-diethoxyphosphoryl-2-phenylethanone has a molecular weight of 256.24 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2-phenylethanone is sourced from PubChem (CID 10868888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).