2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone

C16H17O3P — CID 929448

IUPAC2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
SMILESCCOP(=O)(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O3P/c1-2-19-20(18,15-11-7-4-8-12-15)13-16(17)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChIKeyMTDWPJWDQAEDMU-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.51
Rot. Bonds6

About 2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone

2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone (PubChem CID 929448) has the molecular formula C16H17O3P and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone.

Molecular Properties

Compound Name2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
PubChem CID929448
Molecular FormulaC16H17O3P
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
SMILESCCOP(=O)(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O3P/c1-2-19-20(18,15-11-7-4-8-12-15)13-16(17)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChIKeyMTDWPJWDQAEDMU-UHFFFAOYSA-N
XLogP3.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethoxy(phenyl)phosphoryl]propanamide
CID 132529059
1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene
CID 170659353
ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate
CID 19708049
2-dimethylphosphoryl-1-phenylethanone
CID 555432
2-[bis(hydroxymethyl)phosphoryl]-1-phenylethanone
CID 71357134
2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone
CID 12671866
(2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one
CID 11861697
4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium
CID 11864416
sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid
CID 174747864
(E)-4-diethoxyphosphoryl-3-phenylbut-2-enoic acid
CID 87453545
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
1-phenyl(111C)propan-1-one
CID 11159350

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone?
The IUPAC name of 2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone (CID 929448) is 2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone.
What is the SMILES notation for 2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone?
The canonical SMILES for 2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone is CCOP(=O)(CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone?
The InChIKey is MTDWPJWDQAEDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O3P/c1-2-19-20(18,15-11-7-4-8-12-15)13-16(17)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3.
What are the key properties of 2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone?
2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone has a molecular weight of 288.28 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone is sourced from PubChem (CID 929448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).