2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid

C12H10O3S — CID 12723731

IUPAC2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(O)(c1ccccc1)c1cccs1
InChIInChI=1S/C12H10O3S/c13-11(14)12(15,10-7-4-8-16-10)9-5-2-1-3-6-9/h1-8,15H,(H,13,14)
InChIKeyBIHFCPRVAAVAPP-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.07
Rot. Bonds3

About 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid

2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid (PubChem CID 12723731) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid
PubChem CID12723731
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Name2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(O)(c1ccccc1)c1cccs1
InChIInChI=1S/C12H10O3S/c13-11(14)12(15,10-7-4-8-16-10)9-5-2-1-3-6-9/h1-8,15H,(H,13,14)
InChIKeyBIHFCPRVAAVAPP-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid (CID 12723731) is 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid is O=C(O)C(O)(c1ccccc1)c1cccs1.
What is the InChIKey of 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid?
The InChIKey is BIHFCPRVAAVAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c13-11(14)12(15,10-7-4-8-16-10)9-5-2-1-3-6-9/h1-8,15H,(H,13,14).
What are the key properties of 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid?
2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid has a molecular weight of 234.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 12723731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).