2-(3,4-dimethoxythiophen-2-yl)acetic acid

C8H10O4S — CID 96761580

IUPAC2-(3,4-dimethoxythiophen-2-yl)acetic acid
SMILESCOc1csc(CC(=O)O)c1OC
InChIInChI=1S/C8H10O4S/c1-11-5-4-13-6(3-7(9)10)8(5)12-2/h4H,3H2,1-2H3,(H,9,10)
InChIKeyXFNQUJLCCPLQNG-UHFFFAOYSA-N
MW202.23 g/mol
LogP1.39
Rot. Bonds4

About 2-(3,4-dimethoxythiophen-2-yl)acetic acid

2-(3,4-dimethoxythiophen-2-yl)acetic acid (PubChem CID 96761580) has the molecular formula C8H10O4S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-(3,4-dimethoxythiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxythiophen-2-yl)acetic acid
PubChem CID96761580
Molecular FormulaC8H10O4S
Molecular Weight202.23 g/mol
Exact Mass202.03
IUPAC Name2-(3,4-dimethoxythiophen-2-yl)acetic acid
SMILESCOc1csc(CC(=O)O)c1OC
InChIInChI=1S/C8H10O4S/c1-11-5-4-13-6(3-7(9)10)8(5)12-2/h4H,3H2,1-2H3,(H,9,10)
InChIKeyXFNQUJLCCPLQNG-UHFFFAOYSA-N
XLogP1.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxythiophen-2-yl)acetic acid?
The IUPAC name of 2-(3,4-dimethoxythiophen-2-yl)acetic acid (CID 96761580) is 2-(3,4-dimethoxythiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(3,4-dimethoxythiophen-2-yl)acetic acid?
The canonical SMILES for 2-(3,4-dimethoxythiophen-2-yl)acetic acid is COc1csc(CC(=O)O)c1OC.
What is the InChIKey of 2-(3,4-dimethoxythiophen-2-yl)acetic acid?
The InChIKey is XFNQUJLCCPLQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4S/c1-11-5-4-13-6(3-7(9)10)8(5)12-2/h4H,3H2,1-2H3,(H,9,10).
What are the key properties of 2-(3,4-dimethoxythiophen-2-yl)acetic acid?
2-(3,4-dimethoxythiophen-2-yl)acetic acid has a molecular weight of 202.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxythiophen-2-yl)acetic acid is sourced from PubChem (CID 96761580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).