1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium

C22H22O2P+ — CID 2724195

IUPAC1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium
SMILESc1ccc([P+](CC2OCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22O2P/c1-4-10-19(11-5-1)25(18-22-23-16-17-24-22,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2/q+1
InChIKeyDWHFIQUUUKMKNP-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.35
Rot. Bonds5

About 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium

1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium (PubChem CID 2724195) has the molecular formula C22H22O2P+ and a molecular weight of 349.39 g/mol. Its IUPAC name is 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium.

Molecular Properties

Compound Name1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium
PubChem CID2724195
Molecular FormulaC22H22O2P+
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium
SMILESc1ccc([P+](CC2OCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22O2P/c1-4-10-19(11-5-1)25(18-22-23-16-17-24-22,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2/q+1
InChIKeyDWHFIQUUUKMKNP-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium?
The IUPAC name of 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium (CID 2724195) is 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium.
What is the SMILES notation for 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium?
The canonical SMILES for 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium is c1ccc([P+](CC2OCCO2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium?
The InChIKey is DWHFIQUUUKMKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2P/c1-4-10-19(11-5-1)25(18-22-23-16-17-24-22,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2/q+1.
What are the key properties of 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium?
1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium has a molecular weight of 349.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium is sourced from PubChem (CID 2724195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).