3-hydroxy-5-thiophen-2-ylcyclohex-2-en-1-one

C10H10O2S — CID 658774

IUPAC3-hydroxy-5-thiophen-2-ylcyclohex-2-en-1-one
SMILESO=C1C=C(O)CC(c2cccs2)C1
InChIInChI=1S/C10H10O2S/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h1-3,6-7,11H,4-5H2
InChIKeyFLXYAARDDKWMSF-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.64
Rot. Bonds1

About 3-hydroxy-5-thiophen-2-ylcyclohex-2-en-1-one

3-hydroxy-5-thiophen-2-ylcyclohex-2-en-1-one (PubChem CID 658774) has the molecular formula C10H10O2S and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-hydroxy-5-thiophen-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-5-thiophen-2-ylcyclohex-2-en-1-one
PubChem CID658774
Molecular FormulaC10H10O2S
Molecular Weight194.26 g/mol
Exact Mass194.04
IUPAC Name3-hydroxy-5-thiophen-2-ylcyclohex-2-en-1-one
SMILESO=C1C=C(O)CC(c2cccs2)C1
InChIInChI=1S/C10H10O2S/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h1-3,6-7,11H,4-5H2
InChIKeyFLXYAARDDKWMSF-UHFFFAOYSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Methylthiophen-2-yl)butanoic acid
CID 23434076
2-[(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
CID 3573522
7-Thiophen-2-yl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
CID 15616470
3-Hydroxy-2-((6-hydroxy-4,4-dimethyl-2-oxocyclohex-1-enyl)-2-thienylmethyl)-5,5-dimethylcyclohex-2-en-1-one
CID 4052839
3-Hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(5-methylthiophen-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one
CID 7071346
3-Hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(5-iodothiophen-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one
CID 177249738
2-[(5-Ethylthiophen-2-yl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 177249753
(5-Oxo-2-thiophen-2-yl-cyclopent-1-enyl)-acetic acid
CID 686855
3-Hydroxy-5-phenyl-2-thiophen-2-ylsulfanylcyclohex-2-en-1-one
CID 118708968
2-Methyl-3-(thiophen-2-yl)propanoic acid
CID 6484224
2-Thiophen-2-YL-cyclopropanecarboxylic acid
CID 21691175
3-(2-Thienyl)pentanedioic acid
CID 21770061

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-thiophen-2-ylcyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-5-thiophen-2-ylcyclohex-2-en-1-one (CID 658774) is 3-hydroxy-5-thiophen-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-5-thiophen-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-5-thiophen-2-ylcyclohex-2-en-1-one is O=C1C=C(O)CC(c2cccs2)C1.
What is the InChIKey of 3-hydroxy-5-thiophen-2-ylcyclohex-2-en-1-one?
The InChIKey is FLXYAARDDKWMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h1-3,6-7,11H,4-5H2.
What are the key properties of 3-hydroxy-5-thiophen-2-ylcyclohex-2-en-1-one?
3-hydroxy-5-thiophen-2-ylcyclohex-2-en-1-one has a molecular weight of 194.26 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-thiophen-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 658774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).