2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid

C12H9ClO2S — CID 84756419

IUPAC2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccc2Cl)s1
InChIInChI=1S/C12H9ClO2S/c13-10-4-2-1-3-9(10)11-6-5-8(16-11)7-12(14)15/h1-6H,7H2,(H,14,15)
InChIKeyAASXSJKAKRKJCN-UHFFFAOYSA-N
MW252.72 g/mol
LogP3.70
Rot. Bonds3

About 2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid

2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid (PubChem CID 84756419) has the molecular formula C12H9ClO2S and a molecular weight of 252.72 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid
PubChem CID84756419
Molecular FormulaC12H9ClO2S
Molecular Weight252.72 g/mol
Exact Mass252.00
IUPAC Name2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccc2Cl)s1
InChIInChI=1S/C12H9ClO2S/c13-10-4-2-1-3-9(10)11-6-5-8(16-11)7-12(14)15/h1-6H,7H2,(H,14,15)
InChIKeyAASXSJKAKRKJCN-UHFFFAOYSA-N
XLogP3.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid (CID 84756419) is 2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(-c2ccccc2Cl)s1.
What is the InChIKey of 2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid?
The InChIKey is AASXSJKAKRKJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2S/c13-10-4-2-1-3-9(10)11-6-5-8(16-11)7-12(14)15/h1-6H,7H2,(H,14,15).
What are the key properties of 2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid?
2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid has a molecular weight of 252.72 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 84756419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).