2-(4-hydroxythiophen-2-yl)acetic acid

C6H6O3S — CID 119087803

IUPAC2-(4-hydroxythiophen-2-yl)acetic acid
SMILESO=C(O)Cc1cc(O)cs1
InChIInChI=1S/C6H6O3S/c7-4-1-5(10-3-4)2-6(8)9/h1,3,7H,2H2,(H,8,9)
InChIKeyYOZDDPCPIPOTKG-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.08
Rot. Bonds2

About 2-(4-hydroxythiophen-2-yl)acetic acid

2-(4-hydroxythiophen-2-yl)acetic acid (PubChem CID 119087803) has the molecular formula C6H6O3S and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-(4-hydroxythiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxythiophen-2-yl)acetic acid
PubChem CID119087803
Molecular FormulaC6H6O3S
Molecular Weight158.18 g/mol
Exact Mass158.00
IUPAC Name2-(4-hydroxythiophen-2-yl)acetic acid
SMILESO=C(O)Cc1cc(O)cs1
InChIInChI=1S/C6H6O3S/c7-4-1-5(10-3-4)2-6(8)9/h1,3,7H,2H2,(H,8,9)
InChIKeyYOZDDPCPIPOTKG-UHFFFAOYSA-N
XLogP1.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxythiophen-2-yl)acetic acid?
The IUPAC name of 2-(4-hydroxythiophen-2-yl)acetic acid (CID 119087803) is 2-(4-hydroxythiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxythiophen-2-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxythiophen-2-yl)acetic acid is O=C(O)Cc1cc(O)cs1.
What is the InChIKey of 2-(4-hydroxythiophen-2-yl)acetic acid?
The InChIKey is YOZDDPCPIPOTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3S/c7-4-1-5(10-3-4)2-6(8)9/h1,3,7H,2H2,(H,8,9).
What are the key properties of 2-(4-hydroxythiophen-2-yl)acetic acid?
2-(4-hydroxythiophen-2-yl)acetic acid has a molecular weight of 158.18 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxythiophen-2-yl)acetic acid is sourced from PubChem (CID 119087803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).