2-(2-chloro-6-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-yl)acetic acid

C9H9ClO3S — CID 83911740

IUPAC2-(2-chloro-6-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-yl)acetic acid
SMILESO=C(O)CC1(O)CCc2cc(Cl)sc21
InChIInChI=1S/C9H9ClO3S/c10-6-3-5-1-2-9(13,4-7(11)12)8(5)14-6/h3,13H,1-2,4H2,(H,11,12)
InChIKeyPREZKGQAYJKPMV-UHFFFAOYSA-N
MW232.69 g/mol
LogP2.01
Rot. Bonds2

About 2-(2-chloro-6-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-yl)acetic acid

2-(2-chloro-6-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-yl)acetic acid (PubChem CID 83911740) has the molecular formula C9H9ClO3S and a molecular weight of 232.69 g/mol. Its IUPAC name is 2-(2-chloro-6-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-yl)acetic acid
PubChem CID83911740
Molecular FormulaC9H9ClO3S
Molecular Weight232.69 g/mol
Exact Mass232.00
IUPAC Name2-(2-chloro-6-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-yl)acetic acid
SMILESO=C(O)CC1(O)CCc2cc(Cl)sc21
InChIInChI=1S/C9H9ClO3S/c10-6-3-5-1-2-9(13,4-7(11)12)8(5)14-6/h3,13H,1-2,4H2,(H,11,12)
InChIKeyPREZKGQAYJKPMV-UHFFFAOYSA-N
XLogP2.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-yl)acetic acid?
The IUPAC name of 2-(2-chloro-6-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-yl)acetic acid (CID 83911740) is 2-(2-chloro-6-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-yl)acetic acid.
What is the SMILES notation for 2-(2-chloro-6-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-yl)acetic acid?
The canonical SMILES for 2-(2-chloro-6-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-yl)acetic acid is O=C(O)CC1(O)CCc2cc(Cl)sc21.
What is the InChIKey of 2-(2-chloro-6-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-yl)acetic acid?
The InChIKey is PREZKGQAYJKPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3S/c10-6-3-5-1-2-9(13,4-7(11)12)8(5)14-6/h3,13H,1-2,4H2,(H,11,12).
What are the key properties of 2-(2-chloro-6-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-yl)acetic acid?
2-(2-chloro-6-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-yl)acetic acid has a molecular weight of 232.69 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-yl)acetic acid is sourced from PubChem (CID 83911740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).