[2-(1,3-dioxan-2-yl)phenyl]-methyl-diphenylphosphanium

C23H24O2P+ — CID 88507724

IUPAC[2-(1,3-dioxan-2-yl)phenyl]-methyl-diphenylphosphanium
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1C1OCCCO1
InChIInChI=1S/C23H24O2P/c1-26(19-11-4-2-5-12-19,20-13-6-3-7-14-20)22-16-9-8-15-21(22)23-24-17-10-18-25-23/h2-9,11-16,23H,10,17-18H2,1H3/q+1
InChIKeyWKVQBMUTOUYEJP-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.05
Rot. Bonds4

About [2-(1,3-dioxan-2-yl)phenyl]-methyl-diphenylphosphanium

[2-(1,3-dioxan-2-yl)phenyl]-methyl-diphenylphosphanium (PubChem CID 88507724) has the molecular formula C23H24O2P+ and a molecular weight of 363.42 g/mol. Its IUPAC name is [2-(1,3-dioxan-2-yl)phenyl]-methyl-diphenylphosphanium.

Molecular Properties

Compound Name[2-(1,3-dioxan-2-yl)phenyl]-methyl-diphenylphosphanium
PubChem CID88507724
Molecular FormulaC23H24O2P+
Molecular Weight363.42 g/mol
Exact Mass363.15
IUPAC Name[2-(1,3-dioxan-2-yl)phenyl]-methyl-diphenylphosphanium
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1C1OCCCO1
InChIInChI=1S/C23H24O2P/c1-26(19-11-4-2-5-12-19,20-13-6-3-7-14-20)22-16-9-8-15-21(22)23-24-17-10-18-25-23/h2-9,11-16,23H,10,17-18H2,1H3/q+1
InChIKeyWKVQBMUTOUYEJP-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.05
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 [2-(1,3-dioxan-2-yl)phenyl]-methyl-diphenylphosphanium?
The IUPAC name of [2-(1,3-dioxan-2-yl)phenyl]-methyl-diphenylphosphanium (CID 88507724) is [2-(1,3-dioxan-2-yl)phenyl]-methyl-diphenylphosphanium.
What is the SMILES notation for [2-(1,3-dioxan-2-yl)phenyl]-methyl-diphenylphosphanium?
The canonical SMILES for [2-(1,3-dioxan-2-yl)phenyl]-methyl-diphenylphosphanium is C[P+](c1ccccc1)(c1ccccc1)c1ccccc1C1OCCCO1.
What is the InChIKey of [2-(1,3-dioxan-2-yl)phenyl]-methyl-diphenylphosphanium?
The InChIKey is WKVQBMUTOUYEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2P/c1-26(19-11-4-2-5-12-19,20-13-6-3-7-14-20)22-16-9-8-15-21(22)23-24-17-10-18-25-23/h2-9,11-16,23H,10,17-18H2,1H3/q+1.
What are the key properties of [2-(1,3-dioxan-2-yl)phenyl]-methyl-diphenylphosphanium?
[2-(1,3-dioxan-2-yl)phenyl]-methyl-diphenylphosphanium has a molecular weight of 363.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxan-2-yl)phenyl]-methyl-diphenylphosphanium is sourced from PubChem (CID 88507724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).