triphenyl(propoxycarbonyl)phosphanium

C22H22O2P+ — CID 155678624

IUPACtriphenyl(propoxycarbonyl)phosphanium
SMILESCCCOC(=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O2P/c1-2-18-24-22(23)25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3/q+1
InChIKeyAKFNITFFMXQEMW-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.53
Rot. Bonds6

About triphenyl(propoxycarbonyl)phosphanium

triphenyl(propoxycarbonyl)phosphanium (PubChem CID 155678624) has the molecular formula C22H22O2P+ and a molecular weight of 349.39 g/mol. Its IUPAC name is triphenyl(propoxycarbonyl)phosphanium.

Molecular Properties

Compound Nametriphenyl(propoxycarbonyl)phosphanium
PubChem CID155678624
Molecular FormulaC22H22O2P+
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Nametriphenyl(propoxycarbonyl)phosphanium
SMILESCCCOC(=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O2P/c1-2-18-24-22(23)25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3/q+1
InChIKeyAKFNITFFMXQEMW-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(propoxycarbonyl)phosphanium bromide
CID 159232069
pentoxycarbonyl(triphenyl)phosphanium
CID 172731908
propyl (2R)-2-phenylpropanoate
CID 14926551
phenol;propyl carbamate
CID 174701394
propyl (3S)-3-hydroxy-3-phenylpropanoate
CID 102185519
dipropyl 2,3-diethyl-2,3-diphenoxybutanedioate
CID 139989411
(1,2-diethoxy-2-oxoethyl)-triphenylphosphanium;hydrochloride
CID 126960654
carbamoyl(triphenyl)phosphanium
CID 174403356
propyl 2-methoxy-2-phenoxyacetate
CID 139936534
propyl N-phenyl-N-propan-2-ylcarbamate
CID 71384708
bromobenzene;propyl 3-methylbutanoate
CID 174540636
propyl acetate;propyl benzoate
CID 123140515

Frequently Asked Questions

What is the IUPAC name of triphenyl(propoxycarbonyl)phosphanium?
The IUPAC name of triphenyl(propoxycarbonyl)phosphanium (CID 155678624) is triphenyl(propoxycarbonyl)phosphanium.
What is the SMILES notation for triphenyl(propoxycarbonyl)phosphanium?
The canonical SMILES for triphenyl(propoxycarbonyl)phosphanium is CCCOC(=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl(propoxycarbonyl)phosphanium?
The InChIKey is AKFNITFFMXQEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2P/c1-2-18-24-22(23)25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3/q+1.
What are the key properties of triphenyl(propoxycarbonyl)phosphanium?
triphenyl(propoxycarbonyl)phosphanium has a molecular weight of 349.39 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(propoxycarbonyl)phosphanium is sourced from PubChem (CID 155678624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).