(3-methoxy-3-oxopropyl)-triphenylphosphanium

C22H22O2P+ — CID 6332300

IUPAC(3-methoxy-3-oxopropyl)-triphenylphosphanium
SMILESCOC(=O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O2P/c1-24-22(23)17-18-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3/q+1
InChIKeyPNVZMRRKHWASNI-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.54
Rot. Bonds6

About (3-methoxy-3-oxopropyl)-triphenylphosphanium

(3-methoxy-3-oxopropyl)-triphenylphosphanium (PubChem CID 6332300) has the molecular formula C22H22O2P+ and a molecular weight of 349.39 g/mol. Its IUPAC name is (3-methoxy-3-oxopropyl)-triphenylphosphanium.

Molecular Properties

Compound Name(3-methoxy-3-oxopropyl)-triphenylphosphanium
PubChem CID6332300
Molecular FormulaC22H22O2P+
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(3-methoxy-3-oxopropyl)-triphenylphosphanium
SMILESCOC(=O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O2P/c1-24-22(23)17-18-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3/q+1
InChIKeyPNVZMRRKHWASNI-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
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

(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
(4-methoxy-4-oxobutyl)-triphenylphosphanium
CID 11015715
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide
CID 102601236
2-carboxyethyl(triphenyl)phosphanium;hydrochloride
CID 87824769
3-triphenylphosphaniumylpropanoate;hydrobromide
CID 131665697
2-carboxyethyl-(4-methylphenyl)-diphenylphosphanium
CID 134958855
bromomethane;6-carboxyhexyl(triphenyl)phosphanium
CID 177012688
methyl 5,5-diphenylpentanoate
CID 10923549
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
(3-amino-3-oxopropyl)-triphenylphosphanium acetate
CID 139243684
(6-ethoxy-6-oxohexyl)-triphenylphosphanium
CID 10345272

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-oxopropyl)-triphenylphosphanium?
The IUPAC name of (3-methoxy-3-oxopropyl)-triphenylphosphanium (CID 6332300) is (3-methoxy-3-oxopropyl)-triphenylphosphanium.
What is the SMILES notation for (3-methoxy-3-oxopropyl)-triphenylphosphanium?
The canonical SMILES for (3-methoxy-3-oxopropyl)-triphenylphosphanium is COC(=O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-methoxy-3-oxopropyl)-triphenylphosphanium?
The InChIKey is PNVZMRRKHWASNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2P/c1-24-22(23)17-18-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3/q+1.
What are the key properties of (3-methoxy-3-oxopropyl)-triphenylphosphanium?
(3-methoxy-3-oxopropyl)-triphenylphosphanium has a molecular weight of 349.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-oxopropyl)-triphenylphosphanium is sourced from PubChem (CID 6332300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).