2-(4-hydroxy-2-phenylthiophen-3-yl)acetic acid

C12H10O3S — CID 69116902

IUPAC2-(4-hydroxy-2-phenylthiophen-3-yl)acetic acid
SMILESO=C(O)Cc1c(O)csc1-c1ccccc1
InChIInChI=1S/C12H10O3S/c13-10-7-16-12(9(10)6-11(14)15)8-4-2-1-3-5-8/h1-5,7,13H,6H2,(H,14,15)
InChIKeyGASWPSUPGOEYRV-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.75
Rot. Bonds3

About 2-(4-hydroxy-2-phenylthiophen-3-yl)acetic acid

2-(4-hydroxy-2-phenylthiophen-3-yl)acetic acid (PubChem CID 69116902) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-(4-hydroxy-2-phenylthiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2-phenylthiophen-3-yl)acetic acid
PubChem CID69116902
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Name2-(4-hydroxy-2-phenylthiophen-3-yl)acetic acid
SMILESO=C(O)Cc1c(O)csc1-c1ccccc1
InChIInChI=1S/C12H10O3S/c13-10-7-16-12(9(10)6-11(14)15)8-4-2-1-3-5-8/h1-5,7,13H,6H2,(H,14,15)
InChIKeyGASWPSUPGOEYRV-UHFFFAOYSA-N
XLogP2.75
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.75
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-hydroxy-2-phenylthiophen-3-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-2-phenylthiophen-3-yl)acetic acid (CID 69116902) is 2-(4-hydroxy-2-phenylthiophen-3-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-2-phenylthiophen-3-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-2-phenylthiophen-3-yl)acetic acid is O=C(O)Cc1c(O)csc1-c1ccccc1.
What is the InChIKey of 2-(4-hydroxy-2-phenylthiophen-3-yl)acetic acid?
The InChIKey is GASWPSUPGOEYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c13-10-7-16-12(9(10)6-11(14)15)8-4-2-1-3-5-8/h1-5,7,13H,6H2,(H,14,15).
What are the key properties of 2-(4-hydroxy-2-phenylthiophen-3-yl)acetic acid?
2-(4-hydroxy-2-phenylthiophen-3-yl)acetic acid has a molecular weight of 234.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-phenylthiophen-3-yl)acetic acid is sourced from PubChem (CID 69116902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).