2-(5-acetylthiophen-2-yl)acetic acid

C8H8O3S — CID 16767441

IUPAC2-(5-acetylthiophen-2-yl)acetic acid
SMILESCC(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C8H8O3S/c1-5(9)7-3-2-6(12-7)4-8(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKeyDQCRHXGMBKPIEI-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.58
Rot. Bonds3

About 2-(5-acetylthiophen-2-yl)acetic acid

2-(5-acetylthiophen-2-yl)acetic acid (PubChem CID 16767441) has the molecular formula C8H8O3S and a molecular weight of 184.22 g/mol. Its IUPAC name is 2-(5-acetylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-acetylthiophen-2-yl)acetic acid
PubChem CID16767441
Molecular FormulaC8H8O3S
Molecular Weight184.22 g/mol
Exact Mass184.02
IUPAC Name2-(5-acetylthiophen-2-yl)acetic acid
SMILESCC(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C8H8O3S/c1-5(9)7-3-2-6(12-7)4-8(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKeyDQCRHXGMBKPIEI-UHFFFAOYSA-N
XLogP1.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-2-yl)acetic acid?
The IUPAC name of 2-(5-acetylthiophen-2-yl)acetic acid (CID 16767441) is 2-(5-acetylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(5-acetylthiophen-2-yl)acetic acid?
The canonical SMILES for 2-(5-acetylthiophen-2-yl)acetic acid is CC(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-(5-acetylthiophen-2-yl)acetic acid?
The InChIKey is DQCRHXGMBKPIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S/c1-5(9)7-3-2-6(12-7)4-8(10)11/h2-3H,4H2,1H3,(H,10,11).
What are the key properties of 2-(5-acetylthiophen-2-yl)acetic acid?
2-(5-acetylthiophen-2-yl)acetic acid has a molecular weight of 184.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-2-yl)acetic acid is sourced from PubChem (CID 16767441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).