2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane

C14H15ClO2S — CID 142536310

IUPAC2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane
SMILESCC.O=C(O)Cc1ccc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C12H9ClO2S.C2H6/c13-9-3-1-2-8(6-9)11-5-4-10(16-11)7-12(14)15;1-2/h1-6H,7H2,(H,14,15);1-2H3
InChIKeyVCAMJCFQIMGESW-UHFFFAOYSA-N
MW282.79 g/mol
LogP4.72
Rot. Bonds3

About 2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane

2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane (PubChem CID 142536310) has the molecular formula C14H15ClO2S and a molecular weight of 282.79 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane
PubChem CID142536310
Molecular FormulaC14H15ClO2S
Molecular Weight282.79 g/mol
Exact Mass282.05
IUPAC Name2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane
SMILESCC.O=C(O)Cc1ccc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C12H9ClO2S.C2H6/c13-9-3-1-2-8(6-9)11-5-4-10(16-11)7-12(14)15;1-2/h1-6H,7H2,(H,14,15);1-2H3
InChIKeyVCAMJCFQIMGESW-UHFFFAOYSA-N
XLogP4.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane?
The IUPAC name of 2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane (CID 142536310) is 2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane.
What is the SMILES notation for 2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane?
The canonical SMILES for 2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane is CC.O=C(O)Cc1ccc(-c2cccc(Cl)c2)s1.
What is the InChIKey of 2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane?
The InChIKey is VCAMJCFQIMGESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2S.C2H6/c13-9-3-1-2-8(6-9)11-5-4-10(16-11)7-12(14)15;1-2/h1-6H,7H2,(H,14,15);1-2H3.
What are the key properties of 2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane?
2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane has a molecular weight of 282.79 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane is sourced from PubChem (CID 142536310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).