3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid

C13H12O6S2 — CID 138556055

IUPAC3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid
SMILESO=C(O)CCOc1ccc(OC(=O)COc2cccs2)s1
InChIInChI=1S/C13H12O6S2/c14-9(15)5-6-17-12-3-4-13(21-12)19-10(16)8-18-11-2-1-7-20-11/h1-4,7H,5-6,8H2,(H,14,15)
InChIKeyDIIXWNAIAHUQRD-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.65
Rot. Bonds8

About 3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid

3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid (PubChem CID 138556055) has the molecular formula C13H12O6S2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid
PubChem CID138556055
Molecular FormulaC13H12O6S2
Molecular Weight328.37 g/mol
Exact Mass328.01
IUPAC Name3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid
SMILESO=C(O)CCOc1ccc(OC(=O)COc2cccs2)s1
InChIInChI=1S/C13H12O6S2/c14-9(15)5-6-17-12-3-4-13(21-12)19-10(16)8-18-11-2-1-7-20-11/h1-4,7H,5-6,8H2,(H,14,15)
InChIKeyDIIXWNAIAHUQRD-UHFFFAOYSA-N
XLogP2.65
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

11-thiophen-2-yloxyundecanoic acid
CID 69270363
CID 160726441
CID 160726441
thiophen-2-yl 4-sulfanylbutanoate
CID 87508338
thiophen-2-yl pent-4-enoate
CID 174368768
3-hydroxy-4-thiophen-2-yloxybutanoic acid
CID 69271793
3-(thiophene-2-carbonyloxy)propanoic acid
CID 138555972
dithiophen-2-yl 2-hydroxybutanedioate
CID 174458468
4-thiophen-2-yloxybutan-1-amine
CID 83807030
2-pent-3-enoxythiophene
CID 175415883
thiophen-2-yl acetate
CID 23617313
(5-carboxyoxythiophen-2-yl) hydrogen carbonate
CID 23189622
2-octoxythiophene
CID 66725658

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid?
The IUPAC name of 3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid (CID 138556055) is 3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid.
What is the SMILES notation for 3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid?
The canonical SMILES for 3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid is O=C(O)CCOc1ccc(OC(=O)COc2cccs2)s1.
What is the InChIKey of 3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid?
The InChIKey is DIIXWNAIAHUQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O6S2/c14-9(15)5-6-17-12-3-4-13(21-12)19-10(16)8-18-11-2-1-7-20-11/h1-4,7H,5-6,8H2,(H,14,15).
What are the key properties of 3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid?
3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid has a molecular weight of 328.37 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid is sourced from PubChem (CID 138556055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).