1-(4-propan-2-ylthiophen-2-yl)ethanone

C9H12OS — CID 14954986

IUPAC1-(4-propan-2-ylthiophen-2-yl)ethanone
SMILESCC(=O)c1cc(C(C)C)cs1
InChIInChI=1S/C9H12OS/c1-6(2)8-4-9(7(3)10)11-5-8/h4-6H,1-3H3
InChIKeyFNQSLUZLSAUUDA-UHFFFAOYSA-N
MW168.26 g/mol
LogP3.07
Rot. Bonds2

About 1-(4-propan-2-ylthiophen-2-yl)ethanone

1-(4-propan-2-ylthiophen-2-yl)ethanone (PubChem CID 14954986) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 1-(4-propan-2-ylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-propan-2-ylthiophen-2-yl)ethanone
PubChem CID14954986
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name1-(4-propan-2-ylthiophen-2-yl)ethanone
SMILESCC(=O)c1cc(C(C)C)cs1
InChIInChI=1S/C9H12OS/c1-6(2)8-4-9(7(3)10)11-5-8/h4-6H,1-3H3
InChIKeyFNQSLUZLSAUUDA-UHFFFAOYSA-N
XLogP3.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylthiophen-2-yl)ethanone?
The IUPAC name of 1-(4-propan-2-ylthiophen-2-yl)ethanone (CID 14954986) is 1-(4-propan-2-ylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(4-propan-2-ylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(4-propan-2-ylthiophen-2-yl)ethanone is CC(=O)c1cc(C(C)C)cs1.
What is the InChIKey of 1-(4-propan-2-ylthiophen-2-yl)ethanone?
The InChIKey is FNQSLUZLSAUUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-6(2)8-4-9(7(3)10)11-5-8/h4-6H,1-3H3.
What are the key properties of 1-(4-propan-2-ylthiophen-2-yl)ethanone?
1-(4-propan-2-ylthiophen-2-yl)ethanone has a molecular weight of 168.26 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylthiophen-2-yl)ethanone is sourced from PubChem (CID 14954986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).