[4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium

C22H23O2S+ — CID 164717649

IUPAC[4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium
SMILESCOCOc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C22H23O2S/c1-17-14-21(15-18(2)22(17)24-16-23-3)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,16H2,1-3H3/q+1
InChIKeyWZCLRSXLQNZGIJ-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.38
Rot. Bonds6

About [4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium

[4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium (PubChem CID 164717649) has the molecular formula C22H23O2S+ and a molecular weight of 351.49 g/mol. Its IUPAC name is [4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium
PubChem CID164717649
Molecular FormulaC22H23O2S+
Molecular Weight351.49 g/mol
Exact Mass351.14
IUPAC Name[4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium
SMILESCOCOc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C22H23O2S/c1-17-14-21(15-18(2)22(17)24-16-23-3)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,16H2,1-3H3/q+1
InChIKeyWZCLRSXLQNZGIJ-UHFFFAOYSA-N
XLogP5.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(2,2-dihydroxyethoxy)-3,5-dimethylphenyl]-diphenylsulfanium
CID 153282711
3-(4-diphenylsulfonio-2,6-dimethylphenoxy)propane-1-sulfonate
CID 140669464
[4-[2-(3-ethylpentan-3-yloxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium
CID 58481029
9,10-bis(methoxymethoxy)anthracene
CID 150706504
[4-(4-ethoxy-4-oxobutanoyl)oxy-3,5-dimethylphenyl]-diphenylsulfanium
CID 59435129
[4-[2-[2-(2,3-dihydro-1H-inden-2-yl)propan-2-yloxy]-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium
CID 169017261
(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride
CID 172691925
(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium bromide
CID 165110171
bis(4-tert-butylphenyl)-[4-(carboxymethoxy)-3,5-dimethylphenyl]sulfanium
CID 140622341
(4-hexanoyloxy-3,5-dimethylphenyl)-diphenylsulfanium
CID 158522075
[3,5-dimethyl-4-(3-methylbut-2-enoyloxy)phenyl]-diphenylsulfanium
CID 171591123
(4-tert-butyl-3,5-dimethylphenyl)-diphenylsulfanium
CID 58445560

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium?
The IUPAC name of [4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium (CID 164717649) is [4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium.
What is the SMILES notation for [4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium?
The canonical SMILES for [4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium is COCOc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C.
What is the InChIKey of [4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium?
The InChIKey is WZCLRSXLQNZGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23O2S/c1-17-14-21(15-18(2)22(17)24-16-23-3)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,16H2,1-3H3/q+1.
What are the key properties of [4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium?
[4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium has a molecular weight of 351.49 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium is sourced from PubChem (CID 164717649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).