(4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one

C15H23O4P — CID 15200859

IUPAC(4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one
SMILESCCOP(=O)(C[C@@H](CC(C)=O)c1ccccc1)OCC
InChIInChI=1S/C15H23O4P/c1-4-18-20(17,19-5-2)12-15(11-13(3)16)14-9-7-6-8-10-14/h6-10,15H,4-5,11-12H2,1-3H3/t15-/m1/s1
InChIKeyQCKVCQJWZOOGFJ-OAHLLOKOSA-N
MW298.32 g/mol
LogP4.02
Rot. Bonds9

About (4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one

(4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one (PubChem CID 15200859) has the molecular formula C15H23O4P and a molecular weight of 298.32 g/mol. Its IUPAC name is (4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one.

Molecular Properties

Compound Name(4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one
PubChem CID15200859
Molecular FormulaC15H23O4P
Molecular Weight298.32 g/mol
Exact Mass298.13
IUPAC Name(4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one
SMILESCCOP(=O)(C[C@@H](CC(C)=O)c1ccccc1)OCC
InChIInChI=1S/C15H23O4P/c1-4-18-20(17,19-5-2)12-15(11-13(3)16)14-9-7-6-8-10-14/h6-10,15H,4-5,11-12H2,1-3H3/t15-/m1/s1
InChIKeyQCKVCQJWZOOGFJ-OAHLLOKOSA-N
XLogP4.02
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 ≤ 54.02
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

ethyl 4-diethoxyphosphoryl-3-phenylbutanoate
CID 50906118
ethoxy-(4-ethoxy-4-oxo-2-phenylbutyl)phosphinic acid
CID 54223800
(4R)-5-fluoro-4-phenylpentan-2-one
CID 101477163
(2-diethoxyphosphoryl-1-phenylethyl) benzoate
CID 56963886
methyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate
CID 101491715
N-benzhydryl-1-diethoxyphosphorylpropan-2-amine
CID 10882944
(3R)-5-oxo-3-phenylhexanenitrile
CID 134857504
(2S)-N,N'-bis(2-diethoxyphosphorylethyl)-1,2-diphenylethane-1,2-diamine
CID 58650642
2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide
CID 56955836
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
ethyl 2-diazo-3,7-dioxo-5-phenyloctanoate
CID 101193448
(4R)-4-(2-bromophenyl)-1-diethoxyphosphoryl-4-hydroxybutan-2-one
CID 101232564

Frequently Asked Questions

What is the IUPAC name of (4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one?
The IUPAC name of (4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one (CID 15200859) is (4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one.
What is the SMILES notation for (4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one?
The canonical SMILES for (4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one is CCOP(=O)(C[C@@H](CC(C)=O)c1ccccc1)OCC.
What is the InChIKey of (4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one?
The InChIKey is QCKVCQJWZOOGFJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23O4P/c1-4-18-20(17,19-5-2)12-15(11-13(3)16)14-9-7-6-8-10-14/h6-10,15H,4-5,11-12H2,1-3H3/t15-/m1/s1.
What are the key properties of (4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one?
(4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one has a molecular weight of 298.32 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one is sourced from PubChem (CID 15200859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).