3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one

C18H18O2S — CID 116694915

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one
SMILESO=C(CCS(=O)c1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C18H18O2S/c19-18(15-5-2-1-3-6-15)11-12-21(20)17-10-9-14-7-4-8-16(14)13-17/h1-3,5-6,9-10,13H,4,7-8,11-12H2
InChIKeyFJAIGZOEGZRULD-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.56
Rot. Bonds5

About 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one

3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one (PubChem CID 116694915) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one
PubChem CID116694915
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one
SMILESO=C(CCS(=O)c1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C18H18O2S/c19-18(15-5-2-1-3-6-15)11-12-21(20)17-10-9-14-7-4-8-16(14)13-17/h1-3,5-6,9-10,13H,4,7-8,11-12H2
InChIKeyFJAIGZOEGZRULD-UHFFFAOYSA-N
XLogP3.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone
CID 64639088
4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one
CID 64638484
N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide
CID 81329335
2-(2,3-dihydro-1H-inden-5-ylsulfinylmethyl)-3,3,3-trifluoropropanoic acid
CID 80996550
2,3-dihydro-1H-indene-5-sulfinic acid
CID 22503835
1-[2-(2,3-dihydro-1H-inden-5-ylsulfinyl)ethyl]triazole-4-carboxylic acid
CID 61303951
5-(2,3-dihydro-1H-inden-5-ylsulfinyl)pentanenitrile
CID 63793177
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine
CID 64651990
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64635738
3-[2-(2,3-dihydro-1H-inden-5-ylsulfinyl)ethoxy]aniline
CID 61288016
4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one
CID 64635675

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one (CID 116694915) is 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one is O=C(CCS(=O)c1ccc2c(c1)CCC2)c1ccccc1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one?
The InChIKey is FJAIGZOEGZRULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S/c19-18(15-5-2-1-3-6-15)11-12-21(20)17-10-9-14-7-4-8-16(14)13-17/h1-3,5-6,9-10,13H,4,7-8,11-12H2.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one?
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one has a molecular weight of 298.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one is sourced from PubChem (CID 116694915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).