1-[3-[(2-methylpropan-2-yl)oxy]thiophen-2-yl]ethanone

C10H14O2S — CID 102317367

IUPAC1-[3-[(2-methylpropan-2-yl)oxy]thiophen-2-yl]ethanone
SMILESCC(=O)c1sccc1OC(C)(C)C
InChIInChI=1S/C10H14O2S/c1-7(11)9-8(5-6-13-9)12-10(2,3)4/h5-6H,1-4H3
InChIKeyGAPCOMXDLSFZFO-UHFFFAOYSA-N
MW198.29 g/mol
LogP3.13
Rot. Bonds2

About 1-[3-[(2-methylpropan-2-yl)oxy]thiophen-2-yl]ethanone

1-[3-[(2-methylpropan-2-yl)oxy]thiophen-2-yl]ethanone (PubChem CID 102317367) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-[3-[(2-methylpropan-2-yl)oxy]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(2-methylpropan-2-yl)oxy]thiophen-2-yl]ethanone
PubChem CID102317367
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name1-[3-[(2-methylpropan-2-yl)oxy]thiophen-2-yl]ethanone
SMILESCC(=O)c1sccc1OC(C)(C)C
InChIInChI=1S/C10H14O2S/c1-7(11)9-8(5-6-13-9)12-10(2,3)4/h5-6H,1-4H3
InChIKeyGAPCOMXDLSFZFO-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxy]thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxy]thiophen-2-yl]ethanone (CID 102317367) is 1-[3-[(2-methylpropan-2-yl)oxy]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-[(2-methylpropan-2-yl)oxy]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-[(2-methylpropan-2-yl)oxy]thiophen-2-yl]ethanone is CC(=O)c1sccc1OC(C)(C)C.
What is the InChIKey of 1-[3-[(2-methylpropan-2-yl)oxy]thiophen-2-yl]ethanone?
The InChIKey is GAPCOMXDLSFZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-7(11)9-8(5-6-13-9)12-10(2,3)4/h5-6H,1-4H3.
What are the key properties of 1-[3-[(2-methylpropan-2-yl)oxy]thiophen-2-yl]ethanone?
1-[3-[(2-methylpropan-2-yl)oxy]thiophen-2-yl]ethanone has a molecular weight of 198.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylpropan-2-yl)oxy]thiophen-2-yl]ethanone is sourced from PubChem (CID 102317367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).