2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone

C15H14OS — CID 79991196

IUPAC2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)C1CCc2ccccc21
InChIInChI=1S/C15H14OS/c1-10-8-9-17-15(10)14(16)13-7-6-11-4-2-3-5-12(11)13/h2-5,8-9,13H,6-7H2,1H3
InChIKeyJKUQPTGEWNLPKN-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.97
Rot. Bonds2

About 2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone

2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone (PubChem CID 79991196) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone
PubChem CID79991196
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)C1CCc2ccccc21
InChIInChI=1S/C15H14OS/c1-10-8-9-17-15(10)14(16)13-7-6-11-4-2-3-5-12(11)13/h2-5,8-9,13H,6-7H2,1H3
InChIKeyJKUQPTGEWNLPKN-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone (CID 79991196) is 2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone?
The InChIKey is JKUQPTGEWNLPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c1-10-8-9-17-15(10)14(16)13-7-6-11-4-2-3-5-12(11)13/h2-5,8-9,13H,6-7H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone?
2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone has a molecular weight of 242.34 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 79991196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).