(Z)-1-triphenylphosphaniumylprop-1-en-2-olate

C21H19OP — CID 135051869

IUPAC(Z)-1-triphenylphosphaniumylprop-1-en-2-olate
SMILESC/C([O-])=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3/b18-17-
InChIKeyKAANTNXREIRLCT-ZCXUNETKSA-N
MW318.36 g/mol
LogP3.20
Rot. Bonds4

About (Z)-1-triphenylphosphaniumylprop-1-en-2-olate

(Z)-1-triphenylphosphaniumylprop-1-en-2-olate (PubChem CID 135051869) has the molecular formula C21H19OP and a molecular weight of 318.36 g/mol. Its IUPAC name is (Z)-1-triphenylphosphaniumylprop-1-en-2-olate.

Molecular Properties

Compound Name(Z)-1-triphenylphosphaniumylprop-1-en-2-olate
PubChem CID135051869
Molecular FormulaC21H19OP
Molecular Weight318.36 g/mol
Exact Mass318.12
IUPAC Name(Z)-1-triphenylphosphaniumylprop-1-en-2-olate
SMILESC/C([O-])=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3/b18-17-
InChIKeyKAANTNXREIRLCT-ZCXUNETKSA-N
XLogP3.20
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-triphenylphosphaniumylprop-1-en-2-olate?
The IUPAC name of (Z)-1-triphenylphosphaniumylprop-1-en-2-olate (CID 135051869) is (Z)-1-triphenylphosphaniumylprop-1-en-2-olate.
What is the SMILES notation for (Z)-1-triphenylphosphaniumylprop-1-en-2-olate?
The canonical SMILES for (Z)-1-triphenylphosphaniumylprop-1-en-2-olate is C/C([O-])=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1-triphenylphosphaniumylprop-1-en-2-olate?
The InChIKey is KAANTNXREIRLCT-ZCXUNETKSA-N. The full InChI is InChI=1S/C21H19OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3/b18-17-.
What are the key properties of (Z)-1-triphenylphosphaniumylprop-1-en-2-olate?
(Z)-1-triphenylphosphaniumylprop-1-en-2-olate has a molecular weight of 318.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-triphenylphosphaniumylprop-1-en-2-olate is sourced from PubChem (CID 135051869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).