methyl (E)-3-diphenylphosphanylprop-2-enoate

C16H15O2P — CID 15878850

IUPACmethyl (E)-3-diphenylphosphanylprop-2-enoate
SMILESCOC(=O)/C=C/P(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15O2P/c1-18-16(17)12-13-19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3/b13-12+
InChIKeyPSVUSOGMBVLATO-OUKQBFOZSA-N
MW270.27 g/mol
LogP2.81
Rot. Bonds4

About methyl (E)-3-diphenylphosphanylprop-2-enoate

methyl (E)-3-diphenylphosphanylprop-2-enoate (PubChem CID 15878850) has the molecular formula C16H15O2P and a molecular weight of 270.27 g/mol. Its IUPAC name is methyl (E)-3-diphenylphosphanylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-diphenylphosphanylprop-2-enoate
PubChem CID15878850
Molecular FormulaC16H15O2P
Molecular Weight270.27 g/mol
Exact Mass270.08
IUPAC Namemethyl (E)-3-diphenylphosphanylprop-2-enoate
SMILESCOC(=O)/C=C/P(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15O2P/c1-18-16(17)12-13-19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3/b13-12+
InChIKeyPSVUSOGMBVLATO-OUKQBFOZSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-diphenylphosphanylprop-2-enoate?
The IUPAC name of methyl (E)-3-diphenylphosphanylprop-2-enoate (CID 15878850) is methyl (E)-3-diphenylphosphanylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-diphenylphosphanylprop-2-enoate?
The canonical SMILES for methyl (E)-3-diphenylphosphanylprop-2-enoate is COC(=O)/C=C/P(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (E)-3-diphenylphosphanylprop-2-enoate?
The InChIKey is PSVUSOGMBVLATO-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H15O2P/c1-18-16(17)12-13-19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3/b13-12+.
What are the key properties of methyl (E)-3-diphenylphosphanylprop-2-enoate?
methyl (E)-3-diphenylphosphanylprop-2-enoate has a molecular weight of 270.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-diphenylphosphanylprop-2-enoate is sourced from PubChem (CID 15878850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).