[3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium

C29H30O4P+ — CID 22381105

IUPAC[3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium
SMILESCOCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1OCOC
InChIInChI=1S/C29H30O4P/c1-30-22-32-28-19-18-24(20-29(28)33-23-31-2)21-34(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-20H,21-23H2,1-2H3/q+1
InChIKeySSWTXVBEXZBREU-UHFFFAOYSA-N
MW473.53 g/mol
LogP5.15
Rot. Bonds11

About [3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium

[3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium (PubChem CID 22381105) has the molecular formula C29H30O4P+ and a molecular weight of 473.53 g/mol. Its IUPAC name is [3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium.

Molecular Properties

Compound Name[3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium
PubChem CID22381105
Molecular FormulaC29H30O4P+
Molecular Weight473.53 g/mol
Exact Mass473.19
IUPAC Name[3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium
SMILESCOCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1OCOC
InChIInChI=1S/C29H30O4P/c1-30-22-32-28-19-18-24(20-29(28)33-23-31-2)21-34(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-20H,21-23H2,1-2H3/q+1
InChIKeySSWTXVBEXZBREU-UHFFFAOYSA-N
XLogP5.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.53
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride
CID 19423996
(4-fluoro-3-methoxyphenyl)methyl-triphenylphosphanium bromide
CID 86613401
[4-bromo-3-(2-methoxyethoxy)phenyl]methyl-triphenylphosphanium bromide
CID 158114324
4-ethyl-1,2-bis(methoxymethoxy)benzene
CID 59060180
tris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium
CID 84820726
(3,5-dimethoxy-4-methylphenyl)methyl-triphenylphosphanium
CID 161133355
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride
CID 126958760
[3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide
CID 45043532
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride
CID 10552678
[4-[8-[2,6-dimethoxy-4-(triphenylphosphaniumylmethyl)phenoxy]octoxy]-3,5-dimethoxyphenyl]methyl-triphenylphosphanium
CID 101025478
triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium
CID 11051135
(7,8-dimethoxyphenanthren-2-yl)methyl-triphenylphosphanium bromide
CID 10674977

Frequently Asked Questions

What is the IUPAC name of [3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium?
The IUPAC name of [3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium (CID 22381105) is [3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium.
What is the SMILES notation for [3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium?
The canonical SMILES for [3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium is COCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1OCOC.
What is the InChIKey of [3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium?
The InChIKey is SSWTXVBEXZBREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O4P/c1-30-22-32-28-19-18-24(20-29(28)33-23-31-2)21-34(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-20H,21-23H2,1-2H3/q+1.
What are the key properties of [3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium?
[3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium has a molecular weight of 473.53 g/mol, XLogP of 5.15, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium is sourced from PubChem (CID 22381105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).