ethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate

C14H19O3P — CID 68526810

IUPACethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate
SMILESCCOC(=O)CC1CCCP1(=O)c1ccccc1
InChIInChI=1S/C14H19O3P/c1-2-17-14(15)11-13-9-6-10-18(13,16)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3
InChIKeyVSYZXPJVIIUZIQ-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.79
Rot. Bonds4

About ethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate

ethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate (PubChem CID 68526810) has the molecular formula C14H19O3P and a molecular weight of 266.28 g/mol. Its IUPAC name is ethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate
PubChem CID68526810
Molecular FormulaC14H19O3P
Molecular Weight266.28 g/mol
Exact Mass266.11
IUPAC Nameethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate
SMILESCCOC(=O)CC1CCCP1(=O)c1ccccc1
InChIInChI=1S/C14H19O3P/c1-2-17-14(15)11-13-9-6-10-18(13,16)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3
InChIKeyVSYZXPJVIIUZIQ-UHFFFAOYSA-N
XLogP2.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate
CID 68524102
ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate
CID 134888250
ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917
ethyl 2-[5-(2-phenylethyl)-3,4-dihydro-2H-pyrrol-2-yl]acetate
CID 15877077
ethyl 2-(1,3-dioxoinden-2-yl)acetate
CID 13130488
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
ethyl 2-[(1S)-2-oxocyclopentyl]acetate
CID 1268264
ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate
CID 154715240
ethyl 2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 143248362
ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 86641632
ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate
CID 134303215
ethyl 2-[(2R,3R)-3-benzoylthian-2-yl]acetate
CID 122224105

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate?
The IUPAC name of ethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate (CID 68526810) is ethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate?
The canonical SMILES for ethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate is CCOC(=O)CC1CCCP1(=O)c1ccccc1.
What is the InChIKey of ethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate?
The InChIKey is VSYZXPJVIIUZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19O3P/c1-2-17-14(15)11-13-9-6-10-18(13,16)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3.
What are the key properties of ethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate?
ethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate has a molecular weight of 266.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate is sourced from PubChem (CID 68526810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).