4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)pyran-2-one

C11H8O4S — CID 135408890

IUPAC4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)pyran-2-one
SMILESCc1cc(O)c(C(=O)c2cccs2)c(=O)o1
InChIInChI=1S/C11H8O4S/c1-6-5-7(12)9(11(14)15-6)10(13)8-3-2-4-16-8/h2-5,12H,1H3
InChIKeyUTCFVRFYFPQHPT-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.95
Rot. Bonds2

About 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)pyran-2-one

4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)pyran-2-one (PubChem CID 135408890) has the molecular formula C11H8O4S and a molecular weight of 236.25 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)pyran-2-one
PubChem CID135408890
Molecular FormulaC11H8O4S
Molecular Weight236.25 g/mol
Exact Mass236.01
IUPAC Name4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)pyran-2-one
SMILESCc1cc(O)c(C(=O)c2cccs2)c(=O)o1
InChIInChI=1S/C11H8O4S/c1-6-5-7(12)9(11(14)15-6)10(13)8-3-2-4-16-8/h2-5,12H,1H3
InChIKeyUTCFVRFYFPQHPT-UHFFFAOYSA-N
XLogP1.95
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate
CID 255159
Methyl 3-oxo-3-(thiophen-2-yl)propanoate
CID 2760275
4-hydroxy-6-methyl-3-[3-(2-thienyl)acryloyl]-2H-pyran-2-one
CID 135409945
Ethyl 5-hydroxy-4,7-dioxo-benzothiophene-6-carboxylate
CID 54686231
6-Fluoro-8-hydroxy-6-methyl-3-thiophen-2-ylcyclohepta[b]pyran-2-one
CID 144451843
Tert-butyl 2,3-dioxo-3-thiophen-2-ylpropanoate
CID 10681499
2,2-Dimethyl-6-(2-oxo-2-thiophen-2-ylethyl)-1,3-dioxin-4-one
CID 11265236
4-Hydroxy-3-(2-thenoyl)-5-(2-thienyl)-2h-pyran-2-one
CID 129709043
Thienoylacrylic acid
CID 129789620
Tert-butyl 2,3-dioxo-3-thiophen-2-ylpropanoate;hydrate
CID 134995665
methyl (Z)-3-phenyl-2-(thiophene-3-carbonyl)prop-2-enoate
CID 135013311
Methyl 2-(thiophene-2-carbonyl)pent-2-enoate
CID 135013401

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)pyran-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)pyran-2-one (CID 135408890) is 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)pyran-2-one is Cc1cc(O)c(C(=O)c2cccs2)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)pyran-2-one?
The InChIKey is UTCFVRFYFPQHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4S/c1-6-5-7(12)9(11(14)15-6)10(13)8-3-2-4-16-8/h2-5,12H,1H3.
What are the key properties of 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)pyran-2-one?
4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)pyran-2-one has a molecular weight of 236.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)pyran-2-one is sourced from PubChem (CID 135408890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).