ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate

C17H19O2P — CID 11471690

IUPACethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate
SMILESCCOC(=O)C=P(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19O2P/c1-3-19-17(18)14-20(2,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChIKeyHYVCUSOHYJKXGS-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.65
Rot. Bonds4

About ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate

ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate (PubChem CID 11471690) has the molecular formula C17H19O2P and a molecular weight of 286.31 g/mol. Its IUPAC name is ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate
PubChem CID11471690
Molecular FormulaC17H19O2P
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Nameethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate
SMILESCCOC(=O)C=P(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19O2P/c1-3-19-17(18)14-20(2,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChIKeyHYVCUSOHYJKXGS-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;hydrobromide
CID 173228193
dideuteriomethanone;ethyl 3,3-dideuterioprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)acetate
CID 162263800
ethyl 2-deuterio-2-(triphenyl-lambda5-phosphanylidene)acetate
CID 15619264
ethyl (E)-3-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-enoate
CID 101408691
ethyl 3-benzyl-4-phenylbut-2-enoate
CID 10850364
diethyl (2E,7E)-nona-2,7-dienedioate;ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;pentanedial
CID 159094990
ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
CID 90967313
ethyl 2-phenyliminoacetate
CID 7095267
ethyl (Z)-3-methyl-4-phenylbut-2-enoate
CID 14661101
ethyl (E)-4-(dibenzylamino)(213C)but-2-enoate
CID 11151051
but-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate
CID 142240737
ethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate
CID 11143605

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate?
The IUPAC name of ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate (CID 11471690) is ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate.
What is the SMILES notation for ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate?
The canonical SMILES for ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate is CCOC(=O)C=P(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate?
The InChIKey is HYVCUSOHYJKXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O2P/c1-3-19-17(18)14-20(2,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate?
ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate has a molecular weight of 286.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate is sourced from PubChem (CID 11471690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).