1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone

C18H18O2S — CID 64635738

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone
SMILESCc1ccc(S(=O)CC(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H18O2S/c1-13-5-9-17(10-6-13)21(20)12-18(19)16-8-7-14-3-2-4-15(14)11-16/h5-11H,2-4,12H2,1H3
InChIKeyWUKVIUHTWNDVRP-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.47
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone

1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone (PubChem CID 64635738) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone
PubChem CID64635738
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone
SMILESCc1ccc(S(=O)CC(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H18O2S/c1-13-5-9-17(10-6-13)21(20)12-18(19)16-8-7-14-3-2-4-15(14)11-16/h5-11H,2-4,12H2,1H3
InChIKeyWUKVIUHTWNDVRP-UHFFFAOYSA-N
XLogP3.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone
CID 64639088
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491461
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
4-[2-(4-methylphenyl)sulfinylacetyl]benzonitrile
CID 14380227
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968360
2-(4-methylpyridin-1-ium-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone bromide
CID 45112218
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965738
2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490239
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 114974381
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide
CID 82113869

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone (CID 64635738) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone is Cc1ccc(S(=O)CC(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone?
The InChIKey is WUKVIUHTWNDVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S/c1-13-5-9-17(10-6-13)21(20)12-18(19)16-8-7-14-3-2-4-15(14)11-16/h5-11H,2-4,12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone?
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone has a molecular weight of 298.41 g/mol, XLogP of 3.47, 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-5-yl)-2-(4-methylphenyl)sulfinylethanone is sourced from PubChem (CID 64635738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).