[2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride

C27H26ClO2P — CID 19423996

IUPAC[2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride
SMILESCOCOc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C27H26O2P.ClH/c1-28-22-29-27-20-12-11-13-23(27)21-30(24-14-5-2-6-15-24,25-16-7-3-8-17-25)26-18-9-4-10-19-26;/h2-20H,21-22H2,1H3;1H/q+1;/p-1
InChIKeyDQKNOMUWPYCTPE-UHFFFAOYSA-M
MW448.93 g/mol
LogP2.17
Rot. Bonds8

About [2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride

[2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride (PubChem CID 19423996) has the molecular formula C27H26ClO2P and a molecular weight of 448.93 g/mol. Its IUPAC name is [2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride.

Molecular Properties

Compound Name[2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride
PubChem CID19423996
Molecular FormulaC27H26ClO2P
Molecular Weight448.93 g/mol
Exact Mass448.14
IUPAC Name[2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride
SMILESCOCOc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C27H26O2P.ClH/c1-28-22-29-27-20-12-11-13-23(27)21-30(24-14-5-2-6-15-24,25-16-7-3-8-17-25)26-18-9-4-10-19-26;/h2-20H,21-22H2,1H3;1H/q+1;/p-1
InChIKeyDQKNOMUWPYCTPE-UHFFFAOYSA-M
XLogP2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
CID 175467384
triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride
CID 19423967
[3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium
CID 22381105
triphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium
CID 20764205
(2-methoxycarbonyloxyphenyl)methyl-triphenylphosphanium
CID 10791716
[2-(methoxymethoxy)phenyl]methanol
CID 10920904
[2-(cyclohexylmethoxy)phenyl]methyl-triphenylphosphanium chloride
CID 22678452
(2-phenacyloxyphenyl)methyl-triphenylphosphanium
CID 172741164
triphenyl-[(2,4,5-trimethoxyphenyl)methyl]phosphanium;chloride;hydrate
CID 139062047
[2-(2-fluorononoxy)phenyl]methyl-triphenylphosphanium bromide
CID 19870914
tris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium
CID 84820726
(2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide
CID 86633273

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride?
The IUPAC name of [2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride (CID 19423996) is [2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride.
What is the SMILES notation for [2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride?
The canonical SMILES for [2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride is COCOc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of [2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride?
The InChIKey is DQKNOMUWPYCTPE-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H26O2P.ClH/c1-28-22-29-27-20-12-11-13-23(27)21-30(24-14-5-2-6-15-24,25-16-7-3-8-17-25)26-18-9-4-10-19-26;/h2-20H,21-22H2,1H3;1H/q+1;/p-1.
What are the key properties of [2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride?
[2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride has a molecular weight of 448.93 g/mol, XLogP of 2.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride is sourced from PubChem (CID 19423996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).