methyl 2-(triphenyl-lambda5-phosphanylidene)acetate

C21H19O2P — CID 17453

IUPACmethyl 2-(triphenyl-lambda5-phosphanylidene)acetate
SMILESCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19O2P/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3
InChIKeyNTNUDYROPUKXNA-UHFFFAOYSA-N
MW334.36 g/mol
LogP2.96
Rot. Bonds4

About methyl 2-(triphenyl-lambda5-phosphanylidene)acetate

methyl 2-(triphenyl-lambda5-phosphanylidene)acetate (PubChem CID 17453) has the molecular formula C21H19O2P and a molecular weight of 334.36 g/mol. Its IUPAC name is methyl 2-(triphenyl-lambda5-phosphanylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(triphenyl-lambda5-phosphanylidene)acetate
PubChem CID17453
Molecular FormulaC21H19O2P
Molecular Weight334.36 g/mol
Exact Mass334.11
IUPAC Namemethyl 2-(triphenyl-lambda5-phosphanylidene)acetate
SMILESCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19O2P/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3
InChIKeyNTNUDYROPUKXNA-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(triphenyl-lambda5-phosphanylidene)acetate?
The IUPAC name of methyl 2-(triphenyl-lambda5-phosphanylidene)acetate (CID 17453) is methyl 2-(triphenyl-lambda5-phosphanylidene)acetate.
What is the SMILES notation for methyl 2-(triphenyl-lambda5-phosphanylidene)acetate?
The canonical SMILES for methyl 2-(triphenyl-lambda5-phosphanylidene)acetate is COC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-(triphenyl-lambda5-phosphanylidene)acetate?
The InChIKey is NTNUDYROPUKXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19O2P/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3.
What are the key properties of methyl 2-(triphenyl-lambda5-phosphanylidene)acetate?
methyl 2-(triphenyl-lambda5-phosphanylidene)acetate has a molecular weight of 334.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(triphenyl-lambda5-phosphanylidene)acetate is sourced from PubChem (CID 17453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).