ethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate

C14H17O3P — CID 68524102

IUPACethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C=CC[P@]1(=O)c1ccccc1
InChIInChI=1S/C14H17O3P/c1-2-17-14(15)11-13-9-6-10-18(13,16)12-7-4-3-5-8-12/h3-9,13H,2,10-11H2,1H3/t13-,18+/m1/s1
InChIKeyYFIKYZUMDFCSEW-ACJLOTCBSA-N
MW264.26 g/mol
LogP2.57
Rot. Bonds4

About ethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate

ethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate (PubChem CID 68524102) has the molecular formula C14H17O3P and a molecular weight of 264.26 g/mol. Its IUPAC name is ethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate
PubChem CID68524102
Molecular FormulaC14H17O3P
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Nameethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C=CC[P@]1(=O)c1ccccc1
InChIInChI=1S/C14H17O3P/c1-2-17-14(15)11-13-9-6-10-18(13,16)12-7-4-3-5-8-12/h3-9,13H,2,10-11H2,1H3/t13-,18+/m1/s1
InChIKeyYFIKYZUMDFCSEW-ACJLOTCBSA-N
XLogP2.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate
CID 68526810
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CID 10104359
ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate
CID 134888250
ethyl 2-(4-methyl-3,4-dihydro-1H-isochromen-1-yl)acetate
CID 132528252
(2-ethoxy-2-oxoethyl)-diphenylsulfanium
CID 15442561
ethyl 2-[5-(2-phenylethyl)-3,4-dihydro-2H-pyrrol-2-yl]acetate
CID 15877077
ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917
ethyl 2-(1,3-dioxoinden-2-yl)acetate
CID 13130488
ethyl 2-phenylacetate
CID 7590
ethyl 2-[(1R,6R)-6-(2-ethoxy-2-oxoethyl)cyclohex-3-en-1-yl]acetate
CID 11097129
ethyl 2-[(1R)-3-methyl-1H-isochromen-1-yl]acetate
CID 101496548
ethyl 2-[(1S,4S)-4-nitroso-1,4-dihydronaphthalen-1-yl]acetate
CID 163768240

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate?
The IUPAC name of ethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate (CID 68524102) is ethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate?
The canonical SMILES for ethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate is CCOC(=O)C[C@H]1C=CC[P@]1(=O)c1ccccc1.
What is the InChIKey of ethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate?
The InChIKey is YFIKYZUMDFCSEW-ACJLOTCBSA-N. The full InChI is InChI=1S/C14H17O3P/c1-2-17-14(15)11-13-9-6-10-18(13,16)12-7-4-3-5-8-12/h3-9,13H,2,10-11H2,1H3/t13-,18+/m1/s1.
What are the key properties of ethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate?
ethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate has a molecular weight of 264.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate is sourced from PubChem (CID 68524102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).