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

C8H8O4S — CID 57247905

IUPAC2-(5-acetyloxythiophen-2-yl)acetic acid
SMILESCC(=O)Oc1ccc(CC(=O)O)s1
InChIInChI=1S/C8H8O4S/c1-5(9)12-8-3-2-6(13-8)4-7(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKeyDBAACYXCMDNAKR-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.30
Rot. Bonds3

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

2-(5-acetyloxythiophen-2-yl)acetic acid (PubChem CID 57247905) has the molecular formula C8H8O4S and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-(5-acetyloxythiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-acetyloxythiophen-2-yl)acetic acid
PubChem CID57247905
Molecular FormulaC8H8O4S
Molecular Weight200.21 g/mol
Exact Mass200.01
IUPAC Name2-(5-acetyloxythiophen-2-yl)acetic acid
SMILESCC(=O)Oc1ccc(CC(=O)O)s1
InChIInChI=1S/C8H8O4S/c1-5(9)12-8-3-2-6(13-8)4-7(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKeyDBAACYXCMDNAKR-UHFFFAOYSA-N
XLogP1.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-acetyloxythiophen-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(chloromethyl)thiophen-2-yl] acetate
CID 143581485
[5-(bromomethyl)thiophen-2-yl] acetate
CID 174791723
2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid
CID 82885627
2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid
CID 67286373
(5-formylthiophen-2-yl) acetate
CID 54239970
(5-ethynylthiophen-2-yl) acetate
CID 174712384
2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid
CID 82885844
2-(5-benzoylthiophen-2-yl)acetic acid
CID 3751763
2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894390
2-phenoxyacetic acid;phenyl acetate
CID 160680696
2-[5-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophen-2-yl]acetic acid
CID 113450026
5-(2-oxopropyl)thiophene-2-carboxylic acid
CID 58339018

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyloxythiophen-2-yl)acetic acid?
The IUPAC name of 2-(5-acetyloxythiophen-2-yl)acetic acid (CID 57247905) is 2-(5-acetyloxythiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(5-acetyloxythiophen-2-yl)acetic acid?
The canonical SMILES for 2-(5-acetyloxythiophen-2-yl)acetic acid is CC(=O)Oc1ccc(CC(=O)O)s1.
What is the InChIKey of 2-(5-acetyloxythiophen-2-yl)acetic acid?
The InChIKey is DBAACYXCMDNAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4S/c1-5(9)12-8-3-2-6(13-8)4-7(10)11/h2-3H,4H2,1H3,(H,10,11).
What are the key properties of 2-(5-acetyloxythiophen-2-yl)acetic acid?
2-(5-acetyloxythiophen-2-yl)acetic acid has a molecular weight of 200.21 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyloxythiophen-2-yl)acetic acid is sourced from PubChem (CID 57247905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).