triphenoxy(prop-2-enyl)phosphanium chloride

C21H20ClO3P — CID 11417801

IUPACtriphenoxy(prop-2-enyl)phosphanium chloride
SMILESC=CC[P+](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.[Cl-]
InChIInChI=1S/C21H20O3P.ClH/c1-2-18-25(22-19-12-6-3-7-13-19,23-20-14-8-4-9-15-20)24-21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1
InChIKeyRRDXDYDWIFLJRS-UHFFFAOYSA-M
MW386.82 g/mol
LogP3.18
Rot. Bonds8

About triphenoxy(prop-2-enyl)phosphanium chloride

triphenoxy(prop-2-enyl)phosphanium chloride (PubChem CID 11417801) has the molecular formula C21H20ClO3P and a molecular weight of 386.82 g/mol. Its IUPAC name is triphenoxy(prop-2-enyl)phosphanium chloride.

Molecular Properties

Compound Nametriphenoxy(prop-2-enyl)phosphanium chloride
PubChem CID11417801
Molecular FormulaC21H20ClO3P
Molecular Weight386.82 g/mol
Exact Mass386.08
IUPAC Nametriphenoxy(prop-2-enyl)phosphanium chloride
SMILESC=CC[P+](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.[Cl-]
InChIInChI=1S/C21H20O3P.ClH/c1-2-18-25(22-19-12-6-3-7-13-19,23-20-14-8-4-9-15-20)24-21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1
InChIKeyRRDXDYDWIFLJRS-UHFFFAOYSA-M
XLogP3.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.82
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Triphenyl Phosphate
CID 8289
Triphenyl phosphite
CID 7540
Phosphoric acid, diphenyl ester
CID 13282
Diphenyl methylphosphonate
CID 82027
Phosphorous acid, tris(methylphenyl) ester
CID 12106
O,O,O-Triphenyl phosphorothioate
CID 69011
Diphenyl chlorophosphate
CID 75654
Triphenyl borate
CID 14182
Diphenyl P-phenylphosphonate
CID 76448
Diphenyl phosphite
CID 62550
O,O,O-Triphenyl stiborothioate
CID 22724594
Phenol, 4-(diphenylphosphinyl)-
CID 2828393

Frequently Asked Questions

What is the IUPAC name of triphenoxy(prop-2-enyl)phosphanium chloride?
The IUPAC name of triphenoxy(prop-2-enyl)phosphanium chloride (CID 11417801) is triphenoxy(prop-2-enyl)phosphanium chloride.
What is the SMILES notation for triphenoxy(prop-2-enyl)phosphanium chloride?
The canonical SMILES for triphenoxy(prop-2-enyl)phosphanium chloride is C=CC[P+](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.[Cl-].
What is the InChIKey of triphenoxy(prop-2-enyl)phosphanium chloride?
The InChIKey is RRDXDYDWIFLJRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H20O3P.ClH/c1-2-18-25(22-19-12-6-3-7-13-19,23-20-14-8-4-9-15-20)24-21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1.
What are the key properties of triphenoxy(prop-2-enyl)phosphanium chloride?
triphenoxy(prop-2-enyl)phosphanium chloride has a molecular weight of 386.82 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenoxy(prop-2-enyl)phosphanium chloride is sourced from PubChem (CID 11417801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).