2,3,5-trimethyl-4-(1-methyl-2,3-dihydro-1H-inden-2-yl)thiophene

C17H20S — CID 23542411

IUPAC2,3,5-trimethyl-4-(1-methyl-2,3-dihydro-1H-inden-2-yl)thiophene
SMILESCc1sc(C)c(C2Cc3ccccc3C2C)c1C
InChIInChI=1S/C17H20S/c1-10-12(3)18-13(4)17(10)16-9-14-7-5-6-8-15(14)11(16)2/h5-8,11,16H,9H2,1-4H3
InChIKeyXWYXDXIRXQHKHP-UHFFFAOYSA-N
MW256.41 g/mol
LogP5.12
Rot. Bonds1

About 2,3,5-trimethyl-4-(1-methyl-2,3-dihydro-1H-inden-2-yl)thiophene

2,3,5-trimethyl-4-(1-methyl-2,3-dihydro-1H-inden-2-yl)thiophene (PubChem CID 23542411) has the molecular formula C17H20S and a molecular weight of 256.41 g/mol. Its IUPAC name is 2,3,5-trimethyl-4-(1-methyl-2,3-dihydro-1H-inden-2-yl)thiophene.

Molecular Properties

Compound Name2,3,5-trimethyl-4-(1-methyl-2,3-dihydro-1H-inden-2-yl)thiophene
PubChem CID23542411
Molecular FormulaC17H20S
Molecular Weight256.41 g/mol
Exact Mass256.13
IUPAC Name2,3,5-trimethyl-4-(1-methyl-2,3-dihydro-1H-inden-2-yl)thiophene
SMILESCc1sc(C)c(C2Cc3ccccc3C2C)c1C
InChIInChI=1S/C17H20S/c1-10-12(3)18-13(4)17(10)16-9-14-7-5-6-8-15(14)11(16)2/h5-8,11,16H,9H2,1-4H3
InChIKeyXWYXDXIRXQHKHP-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.41
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-4-(1-methyl-2,3-dihydro-1H-inden-2-yl)thiophene?
The IUPAC name of 2,3,5-trimethyl-4-(1-methyl-2,3-dihydro-1H-inden-2-yl)thiophene (CID 23542411) is 2,3,5-trimethyl-4-(1-methyl-2,3-dihydro-1H-inden-2-yl)thiophene.
What is the SMILES notation for 2,3,5-trimethyl-4-(1-methyl-2,3-dihydro-1H-inden-2-yl)thiophene?
The canonical SMILES for 2,3,5-trimethyl-4-(1-methyl-2,3-dihydro-1H-inden-2-yl)thiophene is Cc1sc(C)c(C2Cc3ccccc3C2C)c1C.
What is the InChIKey of 2,3,5-trimethyl-4-(1-methyl-2,3-dihydro-1H-inden-2-yl)thiophene?
The InChIKey is XWYXDXIRXQHKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20S/c1-10-12(3)18-13(4)17(10)16-9-14-7-5-6-8-15(14)11(16)2/h5-8,11,16H,9H2,1-4H3.
What are the key properties of 2,3,5-trimethyl-4-(1-methyl-2,3-dihydro-1H-inden-2-yl)thiophene?
2,3,5-trimethyl-4-(1-methyl-2,3-dihydro-1H-inden-2-yl)thiophene has a molecular weight of 256.41 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-4-(1-methyl-2,3-dihydro-1H-inden-2-yl)thiophene is sourced from PubChem (CID 23542411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).