2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3,5-dimethylphenyl]sulfinyl-3,5-dimethylbenzene

C20H26O5S — CID 129210103

IUPAC2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3,5-dimethylphenyl]sulfinyl-3,5-dimethylbenzene
SMILESCOCOc1c(C)cc(C)cc1S(=O)c1cc(C)cc(C)c1OCOC
InChIInChI=1S/C20H26O5S/c1-13-7-15(3)19(24-11-22-5)17(9-13)26(21)18-10-14(2)8-16(4)20(18)25-12-23-6/h7-10H,11-12H2,1-6H3
InChIKeyIFKLVVJVFJSDBW-UHFFFAOYSA-N
MW378.49 g/mol
LogP4.05
Rot. Bonds8

About 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3,5-dimethylphenyl]sulfinyl-3,5-dimethylbenzene

2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3,5-dimethylphenyl]sulfinyl-3,5-dimethylbenzene (PubChem CID 129210103) has the molecular formula C20H26O5S and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3,5-dimethylphenyl]sulfinyl-3,5-dimethylbenzene.

Molecular Properties

Compound Name2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3,5-dimethylphenyl]sulfinyl-3,5-dimethylbenzene
PubChem CID129210103
Molecular FormulaC20H26O5S
Molecular Weight378.49 g/mol
Exact Mass378.15
IUPAC Name2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3,5-dimethylphenyl]sulfinyl-3,5-dimethylbenzene
SMILESCOCOc1c(C)cc(C)cc1S(=O)c1cc(C)cc(C)c1OCOC
InChIInChI=1S/C20H26O5S/c1-13-7-15(3)19(24-11-22-5)17(9-13)26(21)18-10-14(2)8-16(4)20(18)25-12-23-6/h7-10H,11-12H2,1-6H3
InChIKeyIFKLVVJVFJSDBW-UHFFFAOYSA-N
XLogP4.05
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3,5-dimethylphenyl]sulfinyl-3,5-dimethylbenzene?
The IUPAC name of 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3,5-dimethylphenyl]sulfinyl-3,5-dimethylbenzene (CID 129210103) is 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3,5-dimethylphenyl]sulfinyl-3,5-dimethylbenzene.
What is the SMILES notation for 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3,5-dimethylphenyl]sulfinyl-3,5-dimethylbenzene?
The canonical SMILES for 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3,5-dimethylphenyl]sulfinyl-3,5-dimethylbenzene is COCOc1c(C)cc(C)cc1S(=O)c1cc(C)cc(C)c1OCOC.
What is the InChIKey of 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3,5-dimethylphenyl]sulfinyl-3,5-dimethylbenzene?
The InChIKey is IFKLVVJVFJSDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5S/c1-13-7-15(3)19(24-11-22-5)17(9-13)26(21)18-10-14(2)8-16(4)20(18)25-12-23-6/h7-10H,11-12H2,1-6H3.
What are the key properties of 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3,5-dimethylphenyl]sulfinyl-3,5-dimethylbenzene?
2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3,5-dimethylphenyl]sulfinyl-3,5-dimethylbenzene has a molecular weight of 378.49 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3,5-dimethylphenyl]sulfinyl-3,5-dimethylbenzene is sourced from PubChem (CID 129210103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).