[(2R)-2-[(4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propyl]-triphenylphosphanium

C33H36O3P+ — CID 101220093

IUPAC[(2R)-2-[(4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propyl]-triphenylphosphanium
SMILESCOc1ccc(C2OC[C@H](C)[C@H]([C@@H](C)C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)O2)cc1
InChIInChI=1S/C33H36O3P/c1-25-23-35-33(27-19-21-28(34-3)22-20-27)36-32(25)26(2)24-37(29-13-7-4-8-14-29,30-15-9-5-10-16-30)31-17-11-6-12-18-31/h4-22,25-26,32-33H,23-24H2,1-3H3/q+1/t25-,26-,32+,33?/m0/s1
InChIKeyBRVUQWUORXGFPY-UMWNRURUSA-N
MW511.62 g/mol
LogP6.38
Rot. Bonds8

About [(2R)-2-[(4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propyl]-triphenylphosphanium

[(2R)-2-[(4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propyl]-triphenylphosphanium (PubChem CID 101220093) has the molecular formula C33H36O3P+ and a molecular weight of 511.62 g/mol. Its IUPAC name is [(2R)-2-[(4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(2R)-2-[(4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propyl]-triphenylphosphanium
PubChem CID101220093
Molecular FormulaC33H36O3P+
Molecular Weight511.62 g/mol
Exact Mass511.24
IUPAC Name[(2R)-2-[(4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propyl]-triphenylphosphanium
SMILESCOc1ccc(C2OC[C@H](C)[C@H]([C@@H](C)C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)O2)cc1
InChIInChI=1S/C33H36O3P/c1-25-23-35-33(27-19-21-28(34-3)22-20-27)36-32(25)26(2)24-37(29-13-7-4-8-14-29,30-15-9-5-10-16-30)31-17-11-6-12-18-31/h4-22,25-26,32-33H,23-24H2,1-3H3/q+1/t25-,26-,32+,33?/m0/s1
InChIKeyBRVUQWUORXGFPY-UMWNRURUSA-N
XLogP6.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2R)-2-[(4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propyl]-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propan-1-ol
CID 11054609
(2S)-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propan-1-ol
CID 129384933
(4S,5S)-2-(4-methoxyphenyl)-5-methyl-4-[(2S)-pent-4-en-2-yl]-1,3-dioxane
CID 89375604
(2S,4S,5S)-4-[(2S,4R)-3-methoxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pentan-2-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-dioxane
CID 11733998
(2R)-2-[(4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propanal
CID 87897708
[(Z,2S,3S,4R,8R,9S,10S)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4,6,8-tetramethylundec-5-enyl]-triphenylphosphanium iodide
CID 10909289
(E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol
CID 10661314
(3S,4R)-4-[(2R,4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pentane-1,3-diol
CID 10662734
(2R,3R,4S)-4-[(4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentane-1,3-diol
CID 11174734
(2S,4S,5S)-2-(4-methoxyphenyl)-4-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5-methyl-1,3-dioxane
CID 11825831
(2R,5S)-5-hydroxy-2-[(2S,4S,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-7-phenylheptan-3-one
CID 102421583
(1R,2R,7S,9S)-8-benzyl-4,12-bis(4-methoxyphenyl)-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane
CID 11038287

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propyl]-triphenylphosphanium?
The IUPAC name of [(2R)-2-[(4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propyl]-triphenylphosphanium (CID 101220093) is [(2R)-2-[(4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propyl]-triphenylphosphanium.
What is the SMILES notation for [(2R)-2-[(4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propyl]-triphenylphosphanium?
The canonical SMILES for [(2R)-2-[(4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propyl]-triphenylphosphanium is COc1ccc(C2OC[C@H](C)[C@H]([C@@H](C)C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)O2)cc1.
What is the InChIKey of [(2R)-2-[(4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propyl]-triphenylphosphanium?
The InChIKey is BRVUQWUORXGFPY-UMWNRURUSA-N. The full InChI is InChI=1S/C33H36O3P/c1-25-23-35-33(27-19-21-28(34-3)22-20-27)36-32(25)26(2)24-37(29-13-7-4-8-14-29,30-15-9-5-10-16-30)31-17-11-6-12-18-31/h4-22,25-26,32-33H,23-24H2,1-3H3/q+1/t25-,26-,32+,33?/m0/s1.
What are the key properties of [(2R)-2-[(4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propyl]-triphenylphosphanium?
[(2R)-2-[(4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propyl]-triphenylphosphanium has a molecular weight of 511.62 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propyl]-triphenylphosphanium is sourced from PubChem (CID 101220093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).