[(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate

C20H25O5P — CID 102230089

IUPAC[(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate
SMILESCOP(=O)(OC)[C@@H](CCc1ccccc1)OC(=O)CCc1ccccc1
InChIInChI=1S/C20H25O5P/c1-23-26(22,24-2)20(16-14-18-11-7-4-8-12-18)25-19(21)15-13-17-9-5-3-6-10-17/h3-12,20H,13-16H2,1-2H3/t20-/m0/s1
InChIKeyUUTOQQVZXDLPDL-FQEVSTJZSA-N
MW376.39 g/mol
LogP4.61
Rot. Bonds10

About [(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate

[(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate (PubChem CID 102230089) has the molecular formula C20H25O5P and a molecular weight of 376.39 g/mol. Its IUPAC name is [(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate
PubChem CID102230089
Molecular FormulaC20H25O5P
Molecular Weight376.39 g/mol
Exact Mass376.14
IUPAC Name[(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate
SMILESCOP(=O)(OC)[C@@H](CCc1ccccc1)OC(=O)CCc1ccccc1
InChIInChI=1S/C20H25O5P/c1-23-26(22,24-2)20(16-14-18-11-7-4-8-12-18)25-19(21)15-13-17-9-5-3-6-10-17/h3-12,20H,13-16H2,1-2H3/t20-/m0/s1
InChIKeyUUTOQQVZXDLPDL-FQEVSTJZSA-N
XLogP4.61
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol
CID 102595949
dichloromethyl 3-phenylpropanoate
CID 174396202
[(3S,5S)-5-hydroxy-1-phenylhexan-3-yl] 3-phenylpropanoate
CID 16751051
[(1S)-1-phenylethyl] 3-phenylpropanoate
CID 102211488
butan-2-yl 3-phenylpropanoate
CID 562005
methyl 4-methylpentanoate;methyl 3-phenylpropanoate
CID 174923229
1-dimethoxyphosphorylpropyl benzoate
CID 134920574
[(1R)-1-dimethoxyphosphoryldodecyl] benzoate
CID 102395340
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
phosphono 3-phenylpropanoate
CID 57243225
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate?
The IUPAC name of [(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate (CID 102230089) is [(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate.
What is the SMILES notation for [(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate?
The canonical SMILES for [(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate is COP(=O)(OC)[C@@H](CCc1ccccc1)OC(=O)CCc1ccccc1.
What is the InChIKey of [(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate?
The InChIKey is UUTOQQVZXDLPDL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25O5P/c1-23-26(22,24-2)20(16-14-18-11-7-4-8-12-18)25-19(21)15-13-17-9-5-3-6-10-17/h3-12,20H,13-16H2,1-2H3/t20-/m0/s1.
What are the key properties of [(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate?
[(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate has a molecular weight of 376.39 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate is sourced from PubChem (CID 102230089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).