[(Z)-2-hydroxyprop-1-enyl]-triphenylphosphanium

C21H20OP+ — CID 6376171

IUPAC[(Z)-2-hydroxyprop-1-enyl]-triphenylphosphanium
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/p+1/b18-17-
InChIKeyKAANTNXREIRLCT-ZCXUNETKSA-O
MW319.36 g/mol
LogP4.40
Rot. Bonds4

About [(Z)-2-hydroxyprop-1-enyl]-triphenylphosphanium

[(Z)-2-hydroxyprop-1-enyl]-triphenylphosphanium (PubChem CID 6376171) has the molecular formula C21H20OP+ and a molecular weight of 319.36 g/mol. Its IUPAC name is [(Z)-2-hydroxyprop-1-enyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(Z)-2-hydroxyprop-1-enyl]-triphenylphosphanium
PubChem CID6376171
Molecular FormulaC21H20OP+
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name[(Z)-2-hydroxyprop-1-enyl]-triphenylphosphanium
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/p+1/b18-17-
InChIKeyKAANTNXREIRLCT-ZCXUNETKSA-O
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
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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Related Compounds

Triphenylphosphine
CID 11776
Methyltriphenyliphosphonium bromide
CID 74505
Butyltriphenylphosphonium bromide
CID 159628
Allyltriphenylphosphonium bromide
CID 197740
1-(Triphenylphosphoranylidene)acetone
CID 15038
Ethyltriphenylphosphonium iodide
CID 78474
Phosphonium, ethyltriphenyl-, bromide (1:1)
CID 73727
(Methoxymethyl)triphenylphosphonium chloride
CID 2723799
Triphenylmethylphosphonium Bromide
CID 621706
3-(Triphenylphosphoranyl)propanoic acid
CID 61357
Acetonyltriphenylphosphonium chloride
CID 196994
Dicyclohexylphenylphosphine
CID 80970

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-hydroxyprop-1-enyl]-triphenylphosphanium?
The IUPAC name of [(Z)-2-hydroxyprop-1-enyl]-triphenylphosphanium (CID 6376171) is [(Z)-2-hydroxyprop-1-enyl]-triphenylphosphanium.
What is the SMILES notation for [(Z)-2-hydroxyprop-1-enyl]-triphenylphosphanium?
The canonical SMILES for [(Z)-2-hydroxyprop-1-enyl]-triphenylphosphanium is C/C(O)=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-2-hydroxyprop-1-enyl]-triphenylphosphanium?
The InChIKey is KAANTNXREIRLCT-ZCXUNETKSA-O. 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/p+1/b18-17-.
What are the key properties of [(Z)-2-hydroxyprop-1-enyl]-triphenylphosphanium?
[(Z)-2-hydroxyprop-1-enyl]-triphenylphosphanium has a molecular weight of 319.36 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-hydroxyprop-1-enyl]-triphenylphosphanium is sourced from PubChem (CID 6376171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).