methyl 2-(4,5-dimethoxy-2-thieno[3,2-b]thiophen-6-ylphenyl)acetate

C17H16O4S2 — CID 122516757

IUPACmethyl 2-(4,5-dimethoxy-2-thieno[3,2-b]thiophen-6-ylphenyl)acetate
SMILESCOC(=O)Cc1cc(OC)c(OC)cc1-c1csc2ccsc12
InChIInChI=1S/C17H16O4S2/c1-19-13-6-10(7-16(18)21-3)11(8-14(13)20-2)12-9-23-15-4-5-22-17(12)15/h4-6,8-9H,7H2,1-3H3
InChIKeyTVGYEVPANXXGTB-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.36
Rot. Bonds5

About methyl 2-(4,5-dimethoxy-2-thieno[3,2-b]thiophen-6-ylphenyl)acetate

methyl 2-(4,5-dimethoxy-2-thieno[3,2-b]thiophen-6-ylphenyl)acetate (PubChem CID 122516757) has the molecular formula C17H16O4S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is methyl 2-(4,5-dimethoxy-2-thieno[3,2-b]thiophen-6-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,5-dimethoxy-2-thieno[3,2-b]thiophen-6-ylphenyl)acetate
PubChem CID122516757
Molecular FormulaC17H16O4S2
Molecular Weight348.45 g/mol
Exact Mass348.05
IUPAC Namemethyl 2-(4,5-dimethoxy-2-thieno[3,2-b]thiophen-6-ylphenyl)acetate
SMILESCOC(=O)Cc1cc(OC)c(OC)cc1-c1csc2ccsc12
InChIInChI=1S/C17H16O4S2/c1-19-13-6-10(7-16(18)21-3)11(8-14(13)20-2)12-9-23-15-4-5-22-17(12)15/h4-6,8-9H,7H2,1-3H3
InChIKeyTVGYEVPANXXGTB-UHFFFAOYSA-N
XLogP4.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,5-dimethoxy-2-thieno[3,2-b]thiophen-6-ylphenyl)acetate?
The IUPAC name of methyl 2-(4,5-dimethoxy-2-thieno[3,2-b]thiophen-6-ylphenyl)acetate (CID 122516757) is methyl 2-(4,5-dimethoxy-2-thieno[3,2-b]thiophen-6-ylphenyl)acetate.
What is the SMILES notation for methyl 2-(4,5-dimethoxy-2-thieno[3,2-b]thiophen-6-ylphenyl)acetate?
The canonical SMILES for methyl 2-(4,5-dimethoxy-2-thieno[3,2-b]thiophen-6-ylphenyl)acetate is COC(=O)Cc1cc(OC)c(OC)cc1-c1csc2ccsc12.
What is the InChIKey of methyl 2-(4,5-dimethoxy-2-thieno[3,2-b]thiophen-6-ylphenyl)acetate?
The InChIKey is TVGYEVPANXXGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4S2/c1-19-13-6-10(7-16(18)21-3)11(8-14(13)20-2)12-9-23-15-4-5-22-17(12)15/h4-6,8-9H,7H2,1-3H3.
What are the key properties of methyl 2-(4,5-dimethoxy-2-thieno[3,2-b]thiophen-6-ylphenyl)acetate?
methyl 2-(4,5-dimethoxy-2-thieno[3,2-b]thiophen-6-ylphenyl)acetate has a molecular weight of 348.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,5-dimethoxy-2-thieno[3,2-b]thiophen-6-ylphenyl)acetate is sourced from PubChem (CID 122516757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).