1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one

C16H16OS — CID 65407812

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)C1CCc2ccccc21
InChIInChI=1S/C16H16OS/c17-16(8-5-12-9-10-18-11-12)15-7-6-13-3-1-2-4-14(13)15/h1-4,9-11,15H,5-8H2
InChIKeyLRJWBGTUGIRWKA-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.98
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one

1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one (PubChem CID 65407812) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one
PubChem CID65407812
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)C1CCc2ccccc21
InChIInChI=1S/C16H16OS/c17-16(8-5-12-9-10-18-11-12)15-7-6-13-3-1-2-4-14(13)15/h1-4,9-11,15H,5-8H2
InChIKeyLRJWBGTUGIRWKA-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65446449
1-cyclobutyl-3-thiophen-3-ylpropan-1-one
CID 64981798
(1R)-2-(3-thiophen-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 97234069
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 65407992
1-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfonylbutan-1-one
CID 65407807
1-(2,3-dihydro-1H-inden-1-yl)-2-(2-methylphenyl)ethanone
CID 65407423
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-3-ylacetamide
CID 7688469
1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65390404
1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65402918
1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 116579929
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 65406653
1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one
CID 130257594

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one (CID 65407812) is 1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one is O=C(CCc1ccsc1)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is LRJWBGTUGIRWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS/c17-16(8-5-12-9-10-18-11-12)15-7-6-13-3-1-2-4-14(13)15/h1-4,9-11,15H,5-8H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one?
1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 256.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 65407812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).