ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate

C13H19O4P — CID 19708049

IUPACethyl 3-[ethoxy(phenyl)phosphoryl]propanoate
SMILESCCOC(=O)CCP(=O)(OCC)c1ccccc1
InChIInChI=1S/C13H19O4P/c1-3-16-13(14)10-11-18(15,17-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyLRSCBHWZLXFDJO-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.58
Rot. Bonds7

About ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate

ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate (PubChem CID 19708049) has the molecular formula C13H19O4P and a molecular weight of 270.26 g/mol. Its IUPAC name is ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate.

Molecular Properties

Compound Nameethyl 3-[ethoxy(phenyl)phosphoryl]propanoate
PubChem CID19708049
Molecular FormulaC13H19O4P
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Nameethyl 3-[ethoxy(phenyl)phosphoryl]propanoate
SMILESCCOC(=O)CCP(=O)(OCC)c1ccccc1
InChIInChI=1S/C13H19O4P/c1-3-16-13(14)10-11-18(15,17-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyLRSCBHWZLXFDJO-UHFFFAOYSA-N
XLogP2.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.58
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(phenyl)phosphoryl]propanamide
CID 132529059
butyl 3-[methoxy(phenyl)phosphoryl]propanoate
CID 139662468
2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
CID 929448
3-[methoxy(phenyl)phosphoryl]propanoic acid
CID 141176838
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
(3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid
CID 68802721
ethyl 2-(1,3-dioxoisoindol-2-yl)-3-[ethoxy(phenyl)phosphoryl]propanoate
CID 24830868
ethyl 3-[ethoxy(propyl)phosphoryl]propanoate
CID 14963465
1-[ethoxy(propyl)phosphoryl]-4-methylbenzene
CID 23081786
2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene
CID 23205845
2-diphenylphosphorylethyl(ethoxy)phosphinic acid
CID 102209255
ethyl butanoate;phthalic acid
CID 175043682

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate?
The IUPAC name of ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate (CID 19708049) is ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate.
What is the SMILES notation for ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate?
The canonical SMILES for ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate is CCOC(=O)CCP(=O)(OCC)c1ccccc1.
What is the InChIKey of ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate?
The InChIKey is LRSCBHWZLXFDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O4P/c1-3-16-13(14)10-11-18(15,17-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate?
ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate has a molecular weight of 270.26 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate is sourced from PubChem (CID 19708049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).