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

C9H10O3S — CID 83908156

IUPAC2-(4-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-yl)acetic acid
SMILESO=C(O)CC1(O)CCc2cscc21
InChIInChI=1S/C9H10O3S/c10-8(11)3-9(12)2-1-6-4-13-5-7(6)9/h4-5,12H,1-3H2,(H,10,11)
InChIKeyBSSWRHIIMVORCA-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.36
Rot. Bonds2

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

2-(4-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-yl)acetic acid (PubChem CID 83908156) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-(4-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-yl)acetic acid
PubChem CID83908156
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name2-(4-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-yl)acetic acid
SMILESO=C(O)CC1(O)CCc2cscc21
InChIInChI=1S/C9H10O3S/c10-8(11)3-9(12)2-1-6-4-13-5-7(6)9/h4-5,12H,1-3H2,(H,10,11)
InChIKeyBSSWRHIIMVORCA-UHFFFAOYSA-N
XLogP1.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-yl)acetic acid
CID 83911740
2-(6-fluoro-1-hydroxy-4-methyl-2,3-dihydroinden-1-yl)acetic acid
CID 11085436
2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid
CID 11077081
2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
CID 94425211
2-(4-hydroxy-7-methyl-2,3-dihydrothiochromen-4-yl)acetic acid
CID 83912379
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
2-[(1R)-1-hydroxy-2-oxocyclohexyl]acetic acid
CID 24879605
2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid
CID 83763635
2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 68638275
2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid
CID 117364769
1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol
CID 105438625
6-(hydroxymethyl)-3-thiabicyclo[3.1.0]hexa-1,4-dien-6-ol
CID 174166673

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-yl)acetic acid (CID 83908156) is 2-(4-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-yl)acetic acid is O=C(O)CC1(O)CCc2cscc21.
What is the InChIKey of 2-(4-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-yl)acetic acid?
The InChIKey is BSSWRHIIMVORCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S/c10-8(11)3-9(12)2-1-6-4-13-5-7(6)9/h4-5,12H,1-3H2,(H,10,11).
What are the key properties of 2-(4-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-yl)acetic acid?
2-(4-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-yl)acetic acid has a molecular weight of 198.24 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-yl)acetic acid is sourced from PubChem (CID 83908156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).