ethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate

C14H19O5P — CID 91195065

IUPACethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate
SMILESC=CCP(=O)(Oc1ccccc1)O[C@H](C)C(=O)OCC
InChIInChI=1S/C14H19O5P/c1-4-11-20(16,18-12(3)14(15)17-5-2)19-13-9-7-6-8-10-13/h4,6-10,12H,1,5,11H2,2-3H3/t12-,20?/m1/s1
InChIKeyFTQHYJFZPXBYKQ-ZRIYNBNISA-N
MW298.28 g/mol
LogP3.41
Rot. Bonds8

About ethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate

ethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate (PubChem CID 91195065) has the molecular formula C14H19O5P and a molecular weight of 298.28 g/mol. Its IUPAC name is ethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate
PubChem CID91195065
Molecular FormulaC14H19O5P
Molecular Weight298.28 g/mol
Exact Mass298.10
IUPAC Nameethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate
SMILESC=CCP(=O)(Oc1ccccc1)O[C@H](C)C(=O)OCC
InChIInChI=1S/C14H19O5P/c1-4-11-20(16,18-12(3)14(15)17-5-2)19-13-9-7-6-8-10-13/h4,6-10,12H,1,5,11H2,2-3H3/t12-,20?/m1/s1
InChIKeyFTQHYJFZPXBYKQ-ZRIYNBNISA-N
XLogP3.41
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-[2-hydroxyethyl(phenoxy)phosphoryl]oxypropanoate
CID 58929000
ethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate
CID 71159094
ethyl (2S)-2-[(4-aminophenyl)methyl-phenoxyphosphoryl]oxypropanoate
CID 59132351
[methoxy(prop-2-enyl)phosphoryl]oxybenzene
CID 54095203
2-[2-[2,6-dichloro-4-[[(1-ethoxy-1-oxopropan-2-yl)oxy-phenoxyphosphoryl]methoxy]anilino]phenyl]acetic acid
CID 59810136
1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene
CID 87155254
N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid
CID 141478072
ethyl (2R)-2-diphenoxyphosphoryloxy-2-phenylacetate
CID 134943975
ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate
CID 122527443
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 134359855
4-[(4-hydroxyphenoxy)-prop-2-enylphosphoryl]oxyphenol
CID 88768896

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate?
The IUPAC name of ethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate (CID 91195065) is ethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate.
What is the SMILES notation for ethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate?
The canonical SMILES for ethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate is C=CCP(=O)(Oc1ccccc1)O[C@H](C)C(=O)OCC.
What is the InChIKey of ethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate?
The InChIKey is FTQHYJFZPXBYKQ-ZRIYNBNISA-N. The full InChI is InChI=1S/C14H19O5P/c1-4-11-20(16,18-12(3)14(15)17-5-2)19-13-9-7-6-8-10-13/h4,6-10,12H,1,5,11H2,2-3H3/t12-,20?/m1/s1.
What are the key properties of ethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate?
ethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate has a molecular weight of 298.28 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate is sourced from PubChem (CID 91195065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).