1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone

C11H10O2S — CID 131207475

IUPAC1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone
SMILESCc1cocc1C(=O)Cc1cccs1
InChIInChI=1S/C11H10O2S/c1-8-6-13-7-10(8)11(12)5-9-3-2-4-14-9/h2-4,6-7H,5H2,1H3
InChIKeyCWJFIBCGLMXUMB-UHFFFAOYSA-N
MW206.27 g/mol
LogP3.07
Rot. Bonds3

About 1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone

1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone (PubChem CID 131207475) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone
PubChem CID131207475
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone
SMILESCc1cocc1C(=O)Cc1cccs1
InChIInChI=1S/C11H10O2S/c1-8-6-13-7-10(8)11(12)5-9-3-2-4-14-9/h2-4,6-7H,5H2,1H3
InChIKeyCWJFIBCGLMXUMB-UHFFFAOYSA-N
XLogP3.07
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Thienyl)furan
CID 526176
S-(2,5-dimethylfuran-3-yl) furan-3-carbothioate
CID 53230316
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CID 2796026
8-hydroxy-1,3-dimethyl-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-4-one
CID 933160
Dimethyl 2-({5-[2-(methoxycarbonyl)-3-thienyl]-2-furyl}methylidene)malonate
CID 2739709
Diethyl 2-({5-[2-(methoxycarbonyl)-3-thienyl]-2-furyl}methylene)malonate
CID 2764741
4-Methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone
CID 646649
(2e)-3-(5-Ethylfuran-2-yl)-1-(thiophen-3-yl) prop-2-en-1-one
CID 71722047
3-Thiophen-3-yl-1-benzofuran
CID 54184853
2-Methoxyphenyl thienyl ketone
CID 639896
8-Ethoxy-1,3-dimethyl-6-thiophen-2-yl-cyclohepta[c]furan-4-one
CID 787585
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CID 90354454

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone (CID 131207475) is 1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone is Cc1cocc1C(=O)Cc1cccs1.
What is the InChIKey of 1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone?
The InChIKey is CWJFIBCGLMXUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-8-6-13-7-10(8)11(12)5-9-3-2-4-14-9/h2-4,6-7H,5H2,1H3.
What are the key properties of 1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone?
1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone has a molecular weight of 206.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 131207475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).