1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]propan-1-one

C16H16OS — CID 43331715

IUPAC1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc3c(c2)CCC3)s1
InChIInChI=1S/C16H16OS/c1-2-14(17)16-9-8-15(18-16)13-7-6-11-4-3-5-12(11)10-13/h6-10H,2-5H2,1H3
InChIKeySOKHQYAAEYPPJG-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.50
Rot. Bonds3

About 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]propan-1-one

1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]propan-1-one (PubChem CID 43331715) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]propan-1-one
PubChem CID43331715
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc3c(c2)CCC3)s1
InChIInChI=1S/C16H16OS/c1-2-14(17)16-9-8-15(18-16)13-7-6-11-4-3-5-12(11)10-13/h6-10H,2-5H2,1H3
InChIKeySOKHQYAAEYPPJG-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]propan-1-one (CID 43331715) is 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]propan-1-one is CCC(=O)c1ccc(-c2ccc3c(c2)CCC3)s1.
What is the InChIKey of 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]propan-1-one?
The InChIKey is SOKHQYAAEYPPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS/c1-2-14(17)16-9-8-15(18-16)13-7-6-11-4-3-5-12(11)10-13/h6-10H,2-5H2,1H3.
What are the key properties of 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]propan-1-one?
1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]propan-1-one has a molecular weight of 256.37 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]propan-1-one is sourced from PubChem (CID 43331715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).