1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone

C19H20OS — CID 43413658

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)c2ccc3c(c2)CCC3)cc1C
InChIInChI=1S/C19H20OS/c1-13-6-9-18(10-14(13)2)21-12-19(20)17-8-7-15-4-3-5-16(15)11-17/h6-11H,3-5,12H2,1-2H3
InChIKeyUJHQKUROLIMNQA-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.77
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone

1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone (PubChem CID 43413658) has the molecular formula C19H20OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone
PubChem CID43413658
Molecular FormulaC19H20OS
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)c2ccc3c(c2)CCC3)cc1C
InChIInChI=1S/C19H20OS/c1-13-6-9-18(10-14(13)2)21-12-19(20)17-8-7-15-4-3-5-16(15)11-17/h6-11H,3-5,12H2,1-2H3
InChIKeyUJHQKUROLIMNQA-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone
CID 43232259
2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050707
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethylphenyl)sulfanylethanone
CID 7456338
2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490239
2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 116830081
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
N'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide
CID 55374410
2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050708
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412758
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491461
1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43218862
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide
CID 60652446

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone (CID 43413658) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone is Cc1ccc(SCC(=O)c2ccc3c(c2)CCC3)cc1C.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone?
The InChIKey is UJHQKUROLIMNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20OS/c1-13-6-9-18(10-14(13)2)21-12-19(20)17-8-7-15-4-3-5-16(15)11-17/h6-11H,3-5,12H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone?
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone has a molecular weight of 296.44 g/mol, XLogP of 4.77, 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-(3,4-dimethylphenyl)sulfanylethanone is sourced from PubChem (CID 43413658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).