(2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one

C11H15O4P — CID 125471813

IUPAC(2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one
SMILESCOP(=O)(OC)C(=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C11H15O4P/c1-9(10-7-5-4-6-8-10)11(12)16(13,14-2)15-3/h4-9H,1-3H3/t9-/m0/s1
InChIKeyZHIBKVHXUIVEIL-VIFPVBQESA-N
MW242.21 g/mol
LogP2.80
Rot. Bonds5

About (2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one

(2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one (PubChem CID 125471813) has the molecular formula C11H15O4P and a molecular weight of 242.21 g/mol. Its IUPAC name is (2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one
PubChem CID125471813
Molecular FormulaC11H15O4P
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name(2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one
SMILESCOP(=O)(OC)C(=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C11H15O4P/c1-9(10-7-5-4-6-8-10)11(12)16(13,14-2)15-3/h4-9H,1-3H3/t9-/m0/s1
InChIKeyZHIBKVHXUIVEIL-VIFPVBQESA-N
XLogP2.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 52.80
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

1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one
CID 135086850
1,1-dimethoxy-3-phenylbutan-2-one
CID 141011761
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one
CID 86202371
(2R)-N-methoxy-2-phenylpropanamide
CID 131067254
(2-oxo-3-phenylbutyl)phosphonic acid
CID 90027390
(1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol
CID 125471602
cesium 2-phenylpropanoate
CID 23721405
azanium 2-phenylpropanoate
CID 146635852
bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414

Frequently Asked Questions

What is the IUPAC name of (2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one?
The IUPAC name of (2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one (CID 125471813) is (2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one.
What is the SMILES notation for (2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one?
The canonical SMILES for (2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one is COP(=O)(OC)C(=O)[C@@H](C)c1ccccc1.
What is the InChIKey of (2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one?
The InChIKey is ZHIBKVHXUIVEIL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15O4P/c1-9(10-7-5-4-6-8-10)11(12)16(13,14-2)15-3/h4-9H,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one?
(2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one has a molecular weight of 242.21 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one is sourced from PubChem (CID 125471813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).