3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one

C15H23O4P — CID 15273785

IUPAC3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one
SMILESCCOP(=O)(CCC(=O)c1ccc(CC)cc1)OCC
InChIInChI=1S/C15H23O4P/c1-4-13-7-9-14(10-8-13)15(16)11-12-20(17,18-5-2)19-6-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyRWULUQVWSCQFLT-UHFFFAOYSA-N
MW298.32 g/mol
LogP4.09
Rot. Bonds9

About 3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one

3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one (PubChem CID 15273785) has the molecular formula C15H23O4P and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one
PubChem CID15273785
Molecular FormulaC15H23O4P
Molecular Weight298.32 g/mol
Exact Mass298.13
IUPAC Name3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one
SMILESCCOP(=O)(CCC(=O)c1ccc(CC)cc1)OCC
InChIInChI=1S/C15H23O4P/c1-4-13-7-9-14(10-8-13)15(16)11-12-20(17,18-5-2)19-6-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyRWULUQVWSCQFLT-UHFFFAOYSA-N
XLogP4.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 115601483
4-ethoxy-1-(4-ethylphenyl)butan-1-one
CID 105085940
methyl 4-(2-diethoxyphosphorylacetyl)benzoate
CID 86060714
1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
1-(4-ethylphenyl)-4,4-dimethylpentan-1-one
CID 62621696
1-(4-ethylphenyl)-3-propoxypropan-1-one
CID 105085935
5-bromo-1-(4-ethylphenyl)pentan-1-one
CID 146006591
3-(ethylamino)-1-(4-ethylphenyl)propan-1-one
CID 94255299
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione
CID 18428768
1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one?
The IUPAC name of 3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one (CID 15273785) is 3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one.
What is the SMILES notation for 3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one?
The canonical SMILES for 3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one is CCOP(=O)(CCC(=O)c1ccc(CC)cc1)OCC.
What is the InChIKey of 3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one?
The InChIKey is RWULUQVWSCQFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23O4P/c1-4-13-7-9-14(10-8-13)15(16)11-12-20(17,18-5-2)19-6-3/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one?
3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one has a molecular weight of 298.32 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one is sourced from PubChem (CID 15273785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).