3-(methoxymethoxy)-2,5-diphenylthiophene

C18H16O2S — CID 15078740

IUPAC3-(methoxymethoxy)-2,5-diphenylthiophene
SMILESCOCOc1cc(-c2ccccc2)sc1-c1ccccc1
InChIInChI=1S/C18H16O2S/c1-19-13-20-16-12-17(14-8-4-2-5-9-14)21-18(16)15-10-6-3-7-11-15/h2-12H,13H2,1H3
InChIKeyXGJRCEYTTVZVDN-UHFFFAOYSA-N
MW296.39 g/mol
LogP5.06
Rot. Bonds5

About 3-(methoxymethoxy)-2,5-diphenylthiophene

3-(methoxymethoxy)-2,5-diphenylthiophene (PubChem CID 15078740) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-(methoxymethoxy)-2,5-diphenylthiophene.

Molecular Properties

Compound Name3-(methoxymethoxy)-2,5-diphenylthiophene
PubChem CID15078740
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name3-(methoxymethoxy)-2,5-diphenylthiophene
SMILESCOCOc1cc(-c2ccccc2)sc1-c1ccccc1
InChIInChI=1S/C18H16O2S/c1-19-13-20-16-12-17(14-8-4-2-5-9-14)21-18(16)15-10-6-3-7-11-15/h2-12H,13H2,1H3
InChIKeyXGJRCEYTTVZVDN-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(methoxymethoxy)-2,5-diphenylthiophene?
The IUPAC name of 3-(methoxymethoxy)-2,5-diphenylthiophene (CID 15078740) is 3-(methoxymethoxy)-2,5-diphenylthiophene.
What is the SMILES notation for 3-(methoxymethoxy)-2,5-diphenylthiophene?
The canonical SMILES for 3-(methoxymethoxy)-2,5-diphenylthiophene is COCOc1cc(-c2ccccc2)sc1-c1ccccc1.
What is the InChIKey of 3-(methoxymethoxy)-2,5-diphenylthiophene?
The InChIKey is XGJRCEYTTVZVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c1-19-13-20-16-12-17(14-8-4-2-5-9-14)21-18(16)15-10-6-3-7-11-15/h2-12H,13H2,1H3.
What are the key properties of 3-(methoxymethoxy)-2,5-diphenylthiophene?
3-(methoxymethoxy)-2,5-diphenylthiophene has a molecular weight of 296.39 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-2,5-diphenylthiophene is sourced from PubChem (CID 15078740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).