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

C11H10O2S — CID 61054256

IUPAC1-(3-methylfuran-2-yl)-2-thiophen-3-ylethanone
SMILESCc1ccoc1C(=O)Cc1ccsc1
InChIInChI=1S/C11H10O2S/c1-8-2-4-13-11(8)10(12)6-9-3-5-14-7-9/h2-5,7H,6H2,1H3
InChIKeyLFEGMPBZRRJRRR-UHFFFAOYSA-N
MW206.27 g/mol
LogP3.07
Rot. Bonds3

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

1-(3-methylfuran-2-yl)-2-thiophen-3-ylethanone (PubChem CID 61054256) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-(3-methylfuran-2-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(3-methylfuran-2-yl)-2-thiophen-3-ylethanone
PubChem CID61054256
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name1-(3-methylfuran-2-yl)-2-thiophen-3-ylethanone
SMILESCc1ccoc1C(=O)Cc1ccsc1
InChIInChI=1S/C11H10O2S/c1-8-2-4-13-11(8)10(12)6-9-3-5-14-7-9/h2-5,7H,6H2,1H3
InChIKeyLFEGMPBZRRJRRR-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-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone
CID 104799652
2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone
CID 104799482
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide
CID 32633181
1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone
CID 65307868
3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid
CID 103250511
1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone
CID 62504742
2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 105373368
1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 104800835
1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone
CID 105091097
1-(3-methylfuran-2-yl)-4-methylsulfonylbutan-1-one
CID 104799392
1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone
CID 61053848
2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one
CID 58449047

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(3-methylfuran-2-yl)-2-thiophen-3-ylethanone (CID 61054256) is 1-(3-methylfuran-2-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(3-methylfuran-2-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(3-methylfuran-2-yl)-2-thiophen-3-ylethanone is Cc1ccoc1C(=O)Cc1ccsc1.
What is the InChIKey of 1-(3-methylfuran-2-yl)-2-thiophen-3-ylethanone?
The InChIKey is LFEGMPBZRRJRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-8-2-4-13-11(8)10(12)6-9-3-5-14-7-9/h2-5,7H,6H2,1H3.
What are the key properties of 1-(3-methylfuran-2-yl)-2-thiophen-3-ylethanone?
1-(3-methylfuran-2-yl)-2-thiophen-3-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-(3-methylfuran-2-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 61054256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).